gebpy 1.1.3__py3-none-any.whl
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- gebpy/__init__.py +55 -0
- gebpy/__pycache__/__init__.cpython-310.pyc +0 -0
- gebpy/adapters/__init__.py +0 -0
- gebpy/cli/__init__.py +0 -0
- gebpy/core/__init__.py +0 -0
- gebpy/core/chemistry/__init__.py +0 -0
- gebpy/core/chemistry/common.py +1369 -0
- gebpy/core/chemistry/elements.py +317 -0
- gebpy/core/chemistry/geochemistry.py +1728 -0
- gebpy/core/fluids/__init__.py +0 -0
- gebpy/core/io/__init__.py +0 -0
- gebpy/core/mathematics/__init__.py +0 -0
- gebpy/core/minerals/__init__.py +0 -0
- gebpy/core/minerals/carbonates.py +412 -0
- gebpy/core/minerals/common.py +555 -0
- gebpy/core/minerals/config.py +77 -0
- gebpy/core/minerals/cyclosilicates.py +0 -0
- gebpy/core/minerals/halides.py +0 -0
- gebpy/core/minerals/inosilicates.py +0 -0
- gebpy/core/minerals/nesosilicates.py +0 -0
- gebpy/core/minerals/organics.py +0 -0
- gebpy/core/minerals/oxides.py +589 -0
- gebpy/core/minerals/phosphates.py +0 -0
- gebpy/core/minerals/phospides.py +0 -0
- gebpy/core/minerals/phyllosilicates.py +436 -0
- gebpy/core/minerals/sorosilicates.py +0 -0
- gebpy/core/minerals/sulfates.py +0 -0
- gebpy/core/minerals/sulfides.py +459 -0
- gebpy/core/minerals/synthesis.py +201 -0
- gebpy/core/minerals/tectosilicates.py +433 -0
- gebpy/core/physics/__init__.py +0 -0
- gebpy/core/physics/common.py +53 -0
- gebpy/core/physics/geophysics.py +351 -0
- gebpy/core/rocks/__init__.py +0 -0
- gebpy/core/rocks/anisotropic_rocks.py +395 -0
- gebpy/core/rocks/common.py +95 -0
- gebpy/core/rocks/config.py +77 -0
- gebpy/core/rocks/isotropic_rocks.py +395 -0
- gebpy/core/rocks/sedimentary.py +385 -0
- gebpy/core/subsurface/__init__.py +0 -0
- gebpy/data_minerals/__init__.py +0 -0
- gebpy/data_minerals/albite.yaml +59 -0
- gebpy/data_minerals/anatase.yaml +43 -0
- gebpy/data_minerals/ankerite.yaml +47 -0
- gebpy/data_minerals/annite.yaml +57 -0
- gebpy/data_minerals/anorthite.yaml +59 -0
- gebpy/data_minerals/antigorite.yaml +53 -0
- gebpy/data_minerals/aragonite.yaml +48 -0
- gebpy/data_minerals/argutite.yaml +43 -0
- gebpy/data_minerals/arsenolite.yaml +40 -0
- gebpy/data_minerals/au3oxide.yaml +46 -0
- gebpy/data_minerals/avicennite.yaml +40 -0
- gebpy/data_minerals/azurite.yaml +53 -0
- gebpy/data_minerals/baddeleyite.yaml +49 -0
- gebpy/data_minerals/bismite.yaml +49 -0
- gebpy/data_minerals/boehmite.yaml +48 -0
- gebpy/data_minerals/brookite.yaml +46 -0
- gebpy/data_minerals/brucite.yaml +45 -0
- gebpy/data_minerals/bunsenite.yaml +40 -0
- gebpy/data_minerals/calcite.yaml +45 -0
- gebpy/data_minerals/cassiterite.yaml +43 -0
- gebpy/data_minerals/cerussite.yaml +48 -0
- gebpy/data_minerals/chamosite.yaml +56 -0
- gebpy/data_minerals/chlorite.yaml +75 -0
- gebpy/data_minerals/chromite.yaml +42 -0
- gebpy/data_minerals/chrysotile.yaml +53 -0
- gebpy/data_minerals/claudetite.yaml +49 -0
- gebpy/data_minerals/clinochlore.yaml +55 -0
- gebpy/data_minerals/cochromite.yaml +42 -0
- gebpy/data_minerals/corundum.yaml +43 -0
- gebpy/data_minerals/crocoite.yaml +51 -0
- gebpy/data_minerals/cuprite.yaml +40 -0
- gebpy/data_minerals/cuprospinel.yaml +42 -0
- gebpy/data_minerals/diaspore.yaml +48 -0
- gebpy/data_minerals/dolomite.yaml +47 -0
- gebpy/data_minerals/eastonite.yaml +57 -0
- gebpy/data_minerals/eskolaite.yaml +43 -0
- gebpy/data_minerals/fechlorite.yaml +61 -0
- gebpy/data_minerals/fecolumbite.yaml +48 -0
- gebpy/data_minerals/ferberite.yaml +51 -0
- gebpy/data_minerals/fetantalite.yaml +48 -0
- gebpy/data_minerals/franklinite.yaml +42 -0
- gebpy/data_minerals/gahnite.yaml +42 -0
- gebpy/data_minerals/galaxite.yaml +42 -0
- gebpy/data_minerals/geikielite.yaml +45 -0
- gebpy/data_minerals/gibbsite.yaml +51 -0
- gebpy/data_minerals/glauconite.yaml +69 -0
- gebpy/data_minerals/goethite.yaml +48 -0
- gebpy/data_minerals/groutite.yaml +48 -0
- gebpy/data_minerals/hematite.yaml +43 -0
- gebpy/data_minerals/hercynite.yaml +42 -0
- gebpy/data_minerals/huebnerite.yaml +51 -0
- gebpy/data_minerals/ikaite.yaml +53 -0
- gebpy/data_minerals/illite.yaml +55 -0
- gebpy/data_minerals/ilmenite.yaml +45 -0
- gebpy/data_minerals/jacobsite.yaml +42 -0
- gebpy/data_minerals/kalsilite.yaml +47 -0
- gebpy/data_minerals/kaolinite.yaml +59 -0
- gebpy/data_minerals/karelianite.yaml +43 -0
- gebpy/data_minerals/lime.yaml +40 -0
- gebpy/data_minerals/litharge.yaml +43 -0
- gebpy/data_minerals/magnesiochromite.yaml +42 -0
- gebpy/data_minerals/magnesioferrite.yaml +42 -0
- gebpy/data_minerals/magnesite.yaml +45 -0
- gebpy/data_minerals/magnetite.yaml +41 -0
- gebpy/data_minerals/malachite.yaml +53 -0
- gebpy/data_minerals/manganite.yaml +51 -0
- gebpy/data_minerals/manganochromite.yaml +42 -0
- gebpy/data_minerals/manganosite.yaml +40 -0
- gebpy/data_minerals/marialite.yaml +49 -0
- gebpy/data_minerals/massicot.yaml +46 -0
- gebpy/data_minerals/meionite.yaml +49 -0
- gebpy/data_minerals/mgchlorite.yaml +61 -0
- gebpy/data_minerals/mgcolumbite.yaml +48 -0
- gebpy/data_minerals/mgtantalite.yaml +48 -0
- gebpy/data_minerals/microcline.yaml +59 -0
- gebpy/data_minerals/minium.yaml +44 -0
- gebpy/data_minerals/mnchlorite.yaml +61 -0
- gebpy/data_minerals/mncolumbite.yaml +48 -0
- gebpy/data_minerals/mntantalite.yaml +48 -0
- gebpy/data_minerals/monteponite.yaml +40 -0
- gebpy/data_minerals/montmorillonite.yaml +77 -0
- gebpy/data_minerals/muscovite.yaml +55 -0
- gebpy/data_minerals/nanepheline.yaml +47 -0
- gebpy/data_minerals/nichlorite.yaml +61 -0
- gebpy/data_minerals/nichromite.yaml +42 -0
- gebpy/data_minerals/nimite.yaml +55 -0
- gebpy/data_minerals/nontronite.yaml +73 -0
- gebpy/data_minerals/orthoclase.yaml +53 -0
- gebpy/data_minerals/paratellurite.yaml +43 -0
- gebpy/data_minerals/pennantite.yaml +61 -0
- gebpy/data_minerals/periclase.yaml +40 -0
- gebpy/data_minerals/phlogopite.yaml +57 -0
- gebpy/data_minerals/plattnerite.yaml +43 -0
- gebpy/data_minerals/powellite.yaml +45 -0
- gebpy/data_minerals/pyrite.yaml +40 -0
- gebpy/data_minerals/pyrolusite.yaml +43 -0
- gebpy/data_minerals/pyrophanite.yaml +45 -0
- gebpy/data_minerals/pyrophyllite.yaml +59 -0
- gebpy/data_minerals/quartz.yaml +43 -0
- gebpy/data_minerals/rhodochrosite.yaml +45 -0
- gebpy/data_minerals/rutile.yaml +43 -0
- gebpy/data_minerals/saponite.yaml +77 -0
- gebpy/data_minerals/scheelite.yaml +45 -0
- gebpy/data_minerals/scrutinyite.yaml +46 -0
- gebpy/data_minerals/senarmontite.yaml +40 -0
- gebpy/data_minerals/siderite.yaml +45 -0
- gebpy/data_minerals/siderophyllite.yaml +57 -0
- gebpy/data_minerals/smithsonite.yaml +45 -0
- gebpy/data_minerals/spinel.yaml +42 -0
- gebpy/data_minerals/stishovite.yaml +43 -0
- gebpy/data_minerals/stolzite.yaml +45 -0
- gebpy/data_minerals/talc.yaml +53 -0
- gebpy/data_minerals/tistarite.yaml +43 -0
- gebpy/data_minerals/trevorite.yaml +42 -0
- gebpy/data_minerals/ulvoespinel.yaml +42 -0
- gebpy/data_minerals/uraninite.yaml +40 -0
- gebpy/data_minerals/valentinite.yaml +46 -0
- gebpy/data_minerals/vermiculite.yaml +69 -0
- gebpy/data_minerals/wulfenite.yaml +45 -0
- gebpy/data_minerals/wustite.yaml +40 -0
- gebpy/data_minerals/zincite.yaml +43 -0
- gebpy/data_minerals/zincochromite.yaml +42 -0
- gebpy/data_rocks/__init__.py +0 -0
- gebpy/data_rocks/dolostone.yaml +40 -0
- gebpy/data_rocks/limestone.yaml +40 -0
- gebpy/data_rocks/marl.yaml +50 -0
- gebpy/data_rocks/sandstone.yaml +39 -0
- gebpy/data_rocks/shale.yaml +50 -0
- gebpy/gebpy_app.py +8732 -0
- gebpy/gui/__init__.py +0 -0
- gebpy/lib/images/GebPy_Header.png +0 -0
- gebpy/lib/images/GebPy_Icon.png +0 -0
- gebpy/lib/images/GebPy_Logo.png +0 -0
- gebpy/main.py +29 -0
- gebpy/modules/__init__.py +0 -0
- gebpy/modules/__pycache__/__init__.cpython-310.pyc +0 -0
- gebpy/modules/__pycache__/metamorphics.cpython-310.pyc +0 -0
- gebpy/modules/__pycache__/silicates.cpython-310.pyc +0 -0
- gebpy/modules/carbonates.py +2658 -0
- gebpy/modules/chemistry.py +1369 -0
- gebpy/modules/core.py +1805 -0
- gebpy/modules/elements.py +317 -0
- gebpy/modules/evaporites.py +1299 -0
- gebpy/modules/exploration.py +1145 -0
- gebpy/modules/fluids.py +339 -0
- gebpy/modules/geochemistry.py +1727 -0
- gebpy/modules/geophysics.py +351 -0
- gebpy/modules/gui.py +9093 -0
- gebpy/modules/gui_elements.py +145 -0
- gebpy/modules/halides.py +485 -0
- gebpy/modules/igneous.py +2241 -0
- gebpy/modules/metamorphics.py +3222 -0
- gebpy/modules/mineralogy.py +442 -0
- gebpy/modules/minerals.py +7954 -0
- gebpy/modules/ore.py +1648 -0
- gebpy/modules/organics.py +530 -0
- gebpy/modules/oxides.py +9057 -0
- gebpy/modules/petrophysics.py +98 -0
- gebpy/modules/phosphates.py +589 -0
- gebpy/modules/phospides.py +194 -0
- gebpy/modules/plotting.py +619 -0
- gebpy/modules/pyllosilicates.py +380 -0
- gebpy/modules/sedimentary_rocks.py +908 -0
- gebpy/modules/sequences.py +2166 -0
- gebpy/modules/series.py +1625 -0
- gebpy/modules/silicates.py +11102 -0
- gebpy/modules/siliciclastics.py +1846 -0
- gebpy/modules/subsurface_2d.py +179 -0
- gebpy/modules/sulfates.py +1629 -0
- gebpy/modules/sulfides.py +4786 -0
- gebpy/plotting/__init__.py +0 -0
- gebpy/ui_nb/__init__.py +0 -0
- gebpy/user_data/.gitkeep +0 -0
- gebpy-1.1.3.dist-info/LICENSE +165 -0
- gebpy-1.1.3.dist-info/METADATA +207 -0
- gebpy-1.1.3.dist-info/RECORD +254 -0
- gebpy-1.1.3.dist-info/WHEEL +5 -0
- gebpy-1.1.3.dist-info/entry_points.txt +2 -0
- gebpy-1.1.3.dist-info/top_level.txt +1 -0
- modules/__init__.py +0 -0
- modules/carbonates.py +2658 -0
- modules/chemistry.py +1369 -0
- modules/core.py +1805 -0
- modules/elements.py +317 -0
- modules/evaporites.py +1299 -0
- modules/exploration.py +765 -0
- modules/fluids.py +339 -0
- modules/geochemistry.py +1727 -0
- modules/geophysics.py +337 -0
- modules/gui.py +9093 -0
- modules/gui_elements.py +145 -0
- modules/halides.py +485 -0
- modules/igneous.py +2196 -0
- modules/metamorphics.py +2699 -0
- modules/mineralogy.py +442 -0
- modules/minerals.py +7954 -0
- modules/ore.py +1628 -0
- modules/organics.py +530 -0
- modules/oxides.py +9057 -0
- modules/petrophysics.py +98 -0
- modules/phosphates.py +589 -0
- modules/phospides.py +194 -0
- modules/plotting.py +619 -0
- modules/pyllosilicates.py +380 -0
- modules/sedimentary_rocks.py +908 -0
- modules/sequences.py +2166 -0
- modules/series.py +1625 -0
- modules/silicates.py +11102 -0
- modules/siliciclastics.py +1830 -0
- modules/subsurface_2d.py +179 -0
- modules/sulfates.py +1629 -0
- modules/sulfides.py +4786 -0
- notebooks/__init__.py +0 -0
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#!/usr/bin/env python
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# -*-coding: utf-8 -*-
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# -----------------------------------------------
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# Name: metamorphics.py
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# Author: Maximilian A. Beeskow
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# Version: 1.0
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# Date: 20.12.2024
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# -----------------------------------------------
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## MODULES
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import numpy as np
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import random as rd
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# internal
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try:
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from gebpy.modules.chemistry import PeriodicSystem, OxideCompounds
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from gebpy.modules.oxides import Oxides
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from gebpy.modules.carbonates import Carbonates
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from gebpy.modules.silicates import Tectosilicates, Nesosilicates, Sorosilicates, Phyllosilicates, Inosilicates
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from gebpy.modules.phosphates import Phosphates
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from gebpy.modules.fluids import Water
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from gebpy.modules.geophysics import Elasticity as elast
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except:
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from modules.chemistry import PeriodicSystem, OxideCompounds
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from modules.oxides import Oxides
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from modules.carbonates import Carbonates
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from modules.silicates import Tectosilicates, Nesosilicates, Sorosilicates, Phyllosilicates, Inosilicates
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from modules.phosphates import Phosphates
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from modules.fluids import Water
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from modules.geophysics import Elasticity as elast
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#######################
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## METAMORPHIC ROCKS ##
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#######################
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class GranuliteFacies:
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def __init__(self, fluid="water", actual_thickness=100, porosity=None):
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self.fluid = fluid
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self.actualThickness = actual_thickness
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self.porosity = porosity
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## Minerals
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self.data_quartz = Oxides(impurity="pure", data_type=True).create_quartz()
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self.data_kyanite = Nesosilicates(impurity="pure", data_type=True).create_kyanite()
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self.data_sillimanite = Nesosilicates(impurity="pure", data_type=True).create_sillimanite()
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self.data_tremolite = Inosilicates(impurity="pure", data_type=True).create_tremolite()
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## Fluids
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self.data_water = Water.water("")
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def create_granulite(self, number=1, composition=None, classification="felsic"):
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results_container = {}
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results_container["rock"] = "Granulite"
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results_container["mineralogy"] = {}
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results_container["chemistry"] = {}
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results_container["compounds"] = {}
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results_container["phi"] = []
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results_container["fluid"] = self.fluid
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results_container["rho_s"] = []
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results_container["rho"] = []
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results_container["vP"] = []
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results_container["vS"] = []
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results_container["vP/vS"] = []
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results_container["K"] = []
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results_container["G"] = []
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results_container["E"] = []
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results_container["nu"] = []
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results_container["GR"] = []
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results_container["PE"] = []
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n = 0
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while n < number:
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data_alkalifeldspar = Tectosilicates(impurity="pure", data_type=True).create_alkalifeldspar()
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data_plagioclase = Tectosilicates(impurity="pure", data_type=True).create_plagioclase()
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data_garnet_al = Nesosilicates(impurity="pure", data_type=True).create_aluminium_garnet()
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data_clinopyroxene = Inosilicates(
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mineral="Clinopyroxene", data_type=True, traces_list=[]).generate_dataset(
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number=1)
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data_orthopyroxene = Inosilicates(
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mineral="Orthopyroxene", data_type=True, traces_list=[]).generate_dataset(
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number=1)
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data_apatite = Phosphates(data_type=True).create_aptite()
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mineralogy = {"Qz": self.data_quartz, "Kfs": data_alkalifeldspar, "Pl": data_plagioclase,
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"Grt": data_garnet_al, "Opx": data_orthopyroxene, "Cpx": data_clinopyroxene,
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"Ap": data_apatite}
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minerals_list = list(mineralogy.keys())
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if minerals_list[0] not in results_container["mineralogy"]:
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for mineral in minerals_list:
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results_container["mineralogy"][mineral] = []
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condition = False
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while condition == False:
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elements_list = []
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phi_minerals = {}
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w_minerals = {}
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w_elements = {}
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if composition != None:
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phi_qz = composition["Qz"]
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phi_kfs = composition["Kfs"]
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phi_pl = composition["Pl"]
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phi_grt = composition["Grt"]
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phi_opx = composition["Opx"]
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phi_cpx = composition["Cpx"]
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phi_ap = composition["Ap"]
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phi_minerals["Qz"] = phi_qz
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phi_minerals["Kfs"] = phi_kfs
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phi_minerals["Pl"] = phi_pl
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phi_minerals["Grt"] = phi_grt
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phi_minerals["Opx"] = phi_opx
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phi_minerals["Cpx"] = phi_cpx
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phi_minerals["Ap"] = phi_ap
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else:
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condition_2 = False
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while condition_2 == False:
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if classification == "felsic":
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+
qz_limits = [0.1, 0.26]
|
|
125
|
+
kfs_limits = [0.2, 0.52]
|
|
126
|
+
pl_limits = [0.2, 0.52]
|
|
127
|
+
grt_limits = [0.02, 0.08]
|
|
128
|
+
opx_limits = [0.0, 0.05]
|
|
129
|
+
cpx_limits = [0.0, 0.05]
|
|
130
|
+
ap_limits = [0.0, 0.05]
|
|
131
|
+
|
|
132
|
+
phi_qz = round(rd.uniform(qz_limits[0], qz_limits[1]), 4)
|
|
133
|
+
phi_kfs = round(rd.uniform(kfs_limits[0], (1 - phi_qz)), 4)
|
|
134
|
+
phi_pl = round(rd.uniform(pl_limits[0], (1 - phi_qz - phi_kfs)), 4)
|
|
135
|
+
phi_grt = round(rd.uniform(grt_limits[0], (1 - phi_qz - phi_kfs - phi_pl)), 4)
|
|
136
|
+
phi_opx = round(rd.uniform(opx_limits[0], (1 - phi_qz - phi_kfs - phi_pl - phi_grt)), 4)
|
|
137
|
+
phi_cpx = round(rd.uniform(
|
|
138
|
+
cpx_limits[0], (1 - phi_qz - phi_kfs - phi_pl - phi_grt - phi_opx)), 4)
|
|
139
|
+
phi_ap = round(1 - phi_qz - phi_kfs - phi_pl - phi_grt - phi_opx - phi_cpx, 4)
|
|
140
|
+
elif classification == "mafic":
|
|
141
|
+
qz_limits = [0.0, 0.12]
|
|
142
|
+
kfs_limits = [0.0, 0.04]
|
|
143
|
+
pl_limits = [0.05, 0.25]
|
|
144
|
+
grt_limits = [0.02, 0.08]
|
|
145
|
+
opx_limits = [0.2, 0.52]
|
|
146
|
+
cpx_limits = [0.2, 0.52]
|
|
147
|
+
ap_limits = [0.0, 0.05]
|
|
148
|
+
|
|
149
|
+
phi_qz = round(rd.uniform(qz_limits[0], qz_limits[1]), 4)
|
|
150
|
+
phi_opx = round(rd.uniform(opx_limits[0], (1 - phi_qz)), 4)
|
|
151
|
+
phi_cpx = round(rd.uniform(cpx_limits[0], (1 - phi_qz - phi_opx)), 4)
|
|
152
|
+
phi_grt = round(rd.uniform(grt_limits[0], (1 - phi_qz - phi_opx - phi_cpx)), 4)
|
|
153
|
+
phi_pl = round(rd.uniform(pl_limits[0], (1 - phi_qz - phi_opx - phi_cpx - phi_grt)), 4)
|
|
154
|
+
phi_kfs = round(rd.uniform(
|
|
155
|
+
kfs_limits[0], (1 - phi_qz - phi_opx - phi_cpx - phi_grt - phi_pl)), 4)
|
|
156
|
+
phi_ap = round(1 - phi_qz - phi_opx - phi_cpx - phi_grt - phi_pl - phi_kfs, 4)
|
|
157
|
+
|
|
158
|
+
phi_total = phi_qz + phi_kfs + phi_pl + phi_grt + phi_opx + phi_cpx + phi_ap
|
|
159
|
+
|
|
160
|
+
if np.isclose(phi_total, 1.0000) == True:
|
|
161
|
+
if (qz_limits[0] <= phi_qz <= qz_limits[1] and kfs_limits[0] <= phi_kfs <= kfs_limits[1]
|
|
162
|
+
and pl_limits[0] <= phi_pl <= pl_limits[1]
|
|
163
|
+
and grt_limits[0] <= phi_grt <= grt_limits[1] \
|
|
164
|
+
and opx_limits[0] <= phi_opx <= opx_limits[1] \
|
|
165
|
+
and cpx_limits[0] <= phi_cpx <= cpx_limits[1]
|
|
166
|
+
and ap_limits[0] <= phi_ap <= ap_limits[1]):
|
|
167
|
+
condition_2 = True
|
|
168
|
+
|
|
169
|
+
phi_minerals["Qz"] = phi_qz
|
|
170
|
+
phi_minerals["Kfs"] = phi_kfs
|
|
171
|
+
phi_minerals["Pl"] = phi_pl
|
|
172
|
+
phi_minerals["Grt"] = phi_grt
|
|
173
|
+
phi_minerals["Opx"] = phi_opx
|
|
174
|
+
phi_minerals["Cpx"] = phi_cpx
|
|
175
|
+
phi_minerals["Ap"] = phi_ap
|
|
176
|
+
|
|
177
|
+
rho_s = 0
|
|
178
|
+
for key, value in phi_minerals.items():
|
|
179
|
+
try:
|
|
180
|
+
rho_s += phi_minerals[key]*mineralogy[key]["rho"]
|
|
181
|
+
except:
|
|
182
|
+
rho_s += phi_minerals[key]*mineralogy[key]["rho"][0]
|
|
183
|
+
|
|
184
|
+
for element, value in mineralogy[key]["chemistry"].items():
|
|
185
|
+
if element not in elements_list:
|
|
186
|
+
elements_list.append(element)
|
|
187
|
+
w_elements[element] = 0.0
|
|
188
|
+
|
|
189
|
+
if elements_list[0] not in results_container["chemistry"]:
|
|
190
|
+
for element in elements_list:
|
|
191
|
+
results_container["chemistry"][element] = []
|
|
192
|
+
|
|
193
|
+
rho_s = round(rho_s, 3)
|
|
194
|
+
for key, value in phi_minerals.items():
|
|
195
|
+
if key == "Urn":
|
|
196
|
+
n_digits = 4
|
|
197
|
+
else:
|
|
198
|
+
n_digits = 4
|
|
199
|
+
|
|
200
|
+
try:
|
|
201
|
+
w_minerals[key] = round((phi_minerals[key]*mineralogy[key]["rho"])/rho_s, n_digits)
|
|
202
|
+
except:
|
|
203
|
+
w_minerals[key] = round((phi_minerals[key]*mineralogy[key]["rho"][0])/rho_s, n_digits)
|
|
204
|
+
|
|
205
|
+
if self.porosity == None:
|
|
206
|
+
var_porosity = round(rd.uniform(0.0, 0.1), 4)
|
|
207
|
+
else:
|
|
208
|
+
var_porosity = round(rd.uniform(self.porosity[0], self.porosity[1]), 4)
|
|
209
|
+
|
|
210
|
+
if self.fluid == "water":
|
|
211
|
+
data_fluid = self.data_water
|
|
212
|
+
|
|
213
|
+
rho = round((1 - var_porosity)*rho_s + var_porosity*data_fluid[2]/1000, 3)
|
|
214
|
+
|
|
215
|
+
old_index = elements_list.index("O")
|
|
216
|
+
elements_list += [elements_list.pop(old_index)]
|
|
217
|
+
|
|
218
|
+
w_elements_total = 0.0
|
|
219
|
+
for element in elements_list:
|
|
220
|
+
if element != "O":
|
|
221
|
+
for mineral, w_mineral in w_minerals.items():
|
|
222
|
+
if element in mineralogy[mineral]["chemistry"]:
|
|
223
|
+
if element == "U":
|
|
224
|
+
n_digits = 4
|
|
225
|
+
else:
|
|
226
|
+
n_digits = 4
|
|
227
|
+
|
|
228
|
+
try:
|
|
229
|
+
value = round(w_mineral*mineralogy[mineral]["chemistry"][element], n_digits)
|
|
230
|
+
except:
|
|
231
|
+
value = round(w_mineral*mineralogy[mineral]["chemistry"][element][0], n_digits)
|
|
232
|
+
|
|
233
|
+
w_elements[element] += value
|
|
234
|
+
w_elements_total += value
|
|
235
|
+
|
|
236
|
+
w_elements[element] = round(w_elements[element], n_digits)
|
|
237
|
+
elif element == "O":
|
|
238
|
+
w_elements[element] += round(1 - w_elements_total, 4)
|
|
239
|
+
w_elements[element] = round(w_elements[element], 4)
|
|
240
|
+
|
|
241
|
+
total_w_minerals = round(sum(w_minerals.values()), 4)
|
|
242
|
+
total_w_elements = round(sum(w_elements.values()), 4)
|
|
243
|
+
if total_w_minerals == 1.0 and total_w_elements == 1.0:
|
|
244
|
+
for key, value in w_minerals.items():
|
|
245
|
+
w_minerals[key] = abs(value)
|
|
246
|
+
|
|
247
|
+
for key, value in w_elements.items():
|
|
248
|
+
w_elements[key] = abs(value)
|
|
249
|
+
|
|
250
|
+
condition = True
|
|
251
|
+
|
|
252
|
+
gamma_ray = 0.0
|
|
253
|
+
photoelectricity = 0.0
|
|
254
|
+
|
|
255
|
+
K_list = []
|
|
256
|
+
G_list = []
|
|
257
|
+
phi_list = []
|
|
258
|
+
for key, value in phi_minerals.items():
|
|
259
|
+
try:
|
|
260
|
+
gamma_ray += phi_minerals[key]*mineralogy[key]["GR"]
|
|
261
|
+
photoelectricity += phi_minerals[key]*mineralogy[key]["PE"]
|
|
262
|
+
|
|
263
|
+
gamma_ray = round(gamma_ray, 3)
|
|
264
|
+
photoelectricity = round(photoelectricity, 3)
|
|
265
|
+
|
|
266
|
+
K_list.append(round(phi_minerals[key]*mineralogy[key]["K"], 3))
|
|
267
|
+
G_list.append(round(phi_minerals[key]*mineralogy[key]["G"], 3))
|
|
268
|
+
phi_list.append(phi_minerals[key])
|
|
269
|
+
except:
|
|
270
|
+
gamma_ray += phi_minerals[key]*mineralogy[key]["GR"][0]
|
|
271
|
+
photoelectricity += phi_minerals[key]*mineralogy[key]["PE"][0]
|
|
272
|
+
|
|
273
|
+
gamma_ray = round(gamma_ray, 3)
|
|
274
|
+
photoelectricity = round(photoelectricity, 3)
|
|
275
|
+
|
|
276
|
+
K_list.append(round(phi_minerals[key]*mineralogy[key]["K"][0], 3))
|
|
277
|
+
G_list.append(round(phi_minerals[key]*mineralogy[key]["G"][0], 3))
|
|
278
|
+
phi_list.append(phi_minerals[key])
|
|
279
|
+
|
|
280
|
+
K_geo = elast.calc_geometric_mean(self, phi_list, K_list)
|
|
281
|
+
G_geo = elast.calc_geometric_mean(self, phi_list, G_list)
|
|
282
|
+
|
|
283
|
+
anisotropic_factor = round(rd.uniform(0.415, 0.425), 2)
|
|
284
|
+
|
|
285
|
+
bulk_mod = K_geo/anisotropic_factor
|
|
286
|
+
shear_mod = G_geo/anisotropic_factor
|
|
287
|
+
|
|
288
|
+
youngs_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 3)
|
|
289
|
+
poisson_rat = round((3*bulk_mod - 2*shear_mod)/(6*bulk_mod + 2*shear_mod), 6)
|
|
290
|
+
vP = round(((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(rho))**0.5, 3)
|
|
291
|
+
vS = round(((shear_mod*10**9)/(rho))**0.5, 3)
|
|
292
|
+
vPvS = round(vP/vS, 6)
|
|
293
|
+
|
|
294
|
+
for key, value in w_minerals.items():
|
|
295
|
+
results_container["mineralogy"][key].append(value)
|
|
296
|
+
|
|
297
|
+
amounts = []
|
|
298
|
+
for key, value in w_elements.items():
|
|
299
|
+
results_container["chemistry"][key].append(value)
|
|
300
|
+
chem_data = PeriodicSystem(name=key).get_data()
|
|
301
|
+
amounts.append([key, chem_data[1], value])
|
|
302
|
+
|
|
303
|
+
list_elements = list(w_elements.keys())
|
|
304
|
+
list_oxides = OxideCompounds(var_list_elements=list_elements).find_oxides()
|
|
305
|
+
composition_oxides = {}
|
|
306
|
+
|
|
307
|
+
for var_oxide in list_oxides:
|
|
308
|
+
oxide_data = OxideCompounds(var_compound=var_oxide, var_amounts=amounts).get_composition()
|
|
309
|
+
composition_oxides[var_oxide] = round(oxide_data["Oxide"][1], 4)
|
|
310
|
+
|
|
311
|
+
if list_oxides[0] not in results_container["compounds"]:
|
|
312
|
+
for oxide in list_oxides:
|
|
313
|
+
results_container["compounds"][oxide] = []
|
|
314
|
+
|
|
315
|
+
for key, value in composition_oxides.items():
|
|
316
|
+
results_container["compounds"][key].append(value)
|
|
317
|
+
|
|
318
|
+
results_container["mineralogy"] = dict(sorted(
|
|
319
|
+
results_container["mineralogy"].items(), key=lambda item: sum(item[1])/len(item[1]), reverse=True))
|
|
320
|
+
results_container["chemistry"] = dict(sorted(
|
|
321
|
+
results_container["chemistry"].items(), key=lambda item: sum(item[1])/len(item[1]), reverse=True))
|
|
322
|
+
results_container["compounds"] = dict(sorted(
|
|
323
|
+
results_container["compounds"].items(), key=lambda item: sum(item[1])/len(item[1]), reverse=True))
|
|
324
|
+
|
|
325
|
+
results_container["phi"].append(var_porosity)
|
|
326
|
+
results_container["rho_s"].append(rho_s)
|
|
327
|
+
results_container["rho"].append(rho)
|
|
328
|
+
results_container["vP"].append(vP)
|
|
329
|
+
results_container["vS"].append(vS)
|
|
330
|
+
results_container["vP/vS"].append(vPvS)
|
|
331
|
+
results_container["K"].append(bulk_mod)
|
|
332
|
+
results_container["G"].append(shear_mod)
|
|
333
|
+
results_container["E"].append(youngs_mod)
|
|
334
|
+
results_container["nu"].append(poisson_rat)
|
|
335
|
+
results_container["GR"].append(gamma_ray)
|
|
336
|
+
results_container["PE"].append(photoelectricity)
|
|
337
|
+
|
|
338
|
+
n += 1
|
|
339
|
+
|
|
340
|
+
return results_container
|
|
341
|
+
|
|
342
|
+
class MetamorphicRocks:
|
|
343
|
+
#
|
|
344
|
+
def __init__(self, fluid="water", actualThickness=100, porosity=None):
|
|
345
|
+
self.fluid = fluid
|
|
346
|
+
self.actualThickness = actualThickness
|
|
347
|
+
self.porosity = porosity
|
|
348
|
+
|
|
349
|
+
## Minerals
|
|
350
|
+
self.data_quartz = Oxides(impurity="pure", data_type=True).create_quartz()
|
|
351
|
+
self.data_kyanite = Nesosilicates(impurity="pure", data_type=True).create_kyanite()
|
|
352
|
+
self.data_sillimanite = Nesosilicates(impurity="pure", data_type=True).create_sillimanite()
|
|
353
|
+
self.data_tremolite = Inosilicates(impurity="pure", data_type=True).create_tremolite()
|
|
354
|
+
self.data_epidote = Sorosilicates(impurity="pure", data_type=True).create_epidote()
|
|
355
|
+
self.data_magnetite = Oxides(data_type=True).create_magnetite()
|
|
356
|
+
self.data_hematite = Oxides(data_type=True).create_hematite()
|
|
357
|
+
self.data_calcite = Carbonates(data_type=True).create_calcite()
|
|
358
|
+
self.data_dolomite = Carbonates(data_type=True).create_dolomite()
|
|
359
|
+
|
|
360
|
+
## Fluids
|
|
361
|
+
self.data_water = Water.water("")
|
|
362
|
+
|
|
363
|
+
def create_greenstone(self, number=1, composition=None):
|
|
364
|
+
results_container = {}
|
|
365
|
+
results_container["rock"] = "Greenschist"
|
|
366
|
+
results_container["mineralogy"] = {}
|
|
367
|
+
results_container["chemistry"] = {}
|
|
368
|
+
results_container["compounds"] = {}
|
|
369
|
+
results_container["phi"] = []
|
|
370
|
+
results_container["fluid"] = self.fluid
|
|
371
|
+
results_container["rho_s"] = []
|
|
372
|
+
results_container["rho"] = []
|
|
373
|
+
results_container["vP"] = []
|
|
374
|
+
results_container["vS"] = []
|
|
375
|
+
results_container["vP/vS"] = []
|
|
376
|
+
results_container["K"] = []
|
|
377
|
+
results_container["G"] = []
|
|
378
|
+
results_container["E"] = []
|
|
379
|
+
results_container["nu"] = []
|
|
380
|
+
results_container["GR"] = []
|
|
381
|
+
results_container["PE"] = []
|
|
382
|
+
|
|
383
|
+
n = 0
|
|
384
|
+
while n < number: # sex
|
|
385
|
+
data_actinolite = Inosilicates(impurity="pure", data_type=True).create_actinolite()
|
|
386
|
+
data_chlorite = Phyllosilicates(impurity="pure", data_type=True).create_chlorite()
|
|
387
|
+
data_plagioclase = Tectosilicates(impurity="pure", data_type=True).create_plagioclase(enrichment="Na")
|
|
388
|
+
data_apatite = Phosphates(data_type=True).create_aptite()
|
|
389
|
+
|
|
390
|
+
mineralogy = {"Chl": data_chlorite, "Pl": data_plagioclase, "Qz": self.data_quartz, "Ep": self.data_epidote,
|
|
391
|
+
"Act": data_actinolite, "Mag": self.data_magnetite, "Cal": self.data_calcite,
|
|
392
|
+
"Ap": data_apatite}
|
|
393
|
+
|
|
394
|
+
minerals_list = list(mineralogy.keys())
|
|
395
|
+
|
|
396
|
+
if minerals_list[0] not in results_container["mineralogy"]:
|
|
397
|
+
for mineral in minerals_list:
|
|
398
|
+
results_container["mineralogy"][mineral] = []
|
|
399
|
+
|
|
400
|
+
if self.porosity == None:
|
|
401
|
+
phi_helper = round(rd.uniform(0.0, 0.1), 4)
|
|
402
|
+
else:
|
|
403
|
+
phi_helper = round(rd.uniform(self.porosity[0], self.porosity[1]), 4)
|
|
404
|
+
|
|
405
|
+
condition = False
|
|
406
|
+
|
|
407
|
+
while condition == False:
|
|
408
|
+
elements_list = []
|
|
409
|
+
phi_minerals = {}
|
|
410
|
+
w_minerals = {}
|
|
411
|
+
w_elements = {}
|
|
412
|
+
|
|
413
|
+
if composition != None:
|
|
414
|
+
phi_chl = composition["Chl"]
|
|
415
|
+
phi_pl = composition["Pl"]
|
|
416
|
+
phi_qz = composition["Qz"]
|
|
417
|
+
phi_ep = composition["Ep"]
|
|
418
|
+
phi_act = composition["Act"]
|
|
419
|
+
phi_mag = composition["Mag"]
|
|
420
|
+
phi_cal = composition["Cal"]
|
|
421
|
+
phi_ap = composition["Ap"]
|
|
422
|
+
|
|
423
|
+
phi_minerals["Chl"] = phi_chl
|
|
424
|
+
phi_minerals["Pl"] = phi_pl
|
|
425
|
+
phi_minerals["Qz"] = phi_qz
|
|
426
|
+
phi_minerals["Ep"] = phi_ep
|
|
427
|
+
phi_minerals["Act"] = phi_act
|
|
428
|
+
phi_minerals["Mag"] = phi_mag
|
|
429
|
+
phi_minerals["Cal"] = phi_cal
|
|
430
|
+
phi_minerals["Ap"] = phi_ap
|
|
431
|
+
else:
|
|
432
|
+
condition_2 = False
|
|
433
|
+
while condition_2 == False:
|
|
434
|
+
phi_chl = round(rd.uniform(0.35, 0.50), 4)
|
|
435
|
+
phi_pl = round(rd.uniform(0.15, 0.25), 4)
|
|
436
|
+
phi_qz = round(rd.uniform(0.1, 0.2), 4)
|
|
437
|
+
phi_ep = round(rd.uniform(0.05, (1.0 - phi_chl - phi_pl - phi_qz)), 4)
|
|
438
|
+
phi_act = round(rd.uniform(0.05, (1.0 - phi_chl - phi_pl - phi_qz - phi_ep)), 4)
|
|
439
|
+
phi_mag = round(rd.uniform(0.002, (1.0 - phi_chl - phi_pl - phi_qz - phi_ep - phi_act)), 4)
|
|
440
|
+
phi_cal = round(
|
|
441
|
+
rd.uniform(0.0, (1.0 - phi_chl - phi_pl - phi_qz - phi_ep - phi_act - phi_mag)), 4)
|
|
442
|
+
phi_ap = round(1 - phi_chl - phi_pl - phi_qz - phi_ep - phi_act - phi_mag - phi_cal, 4)
|
|
443
|
+
phi_total = phi_chl + phi_pl + phi_qz + phi_ep + phi_act + phi_mag + phi_cal + phi_ap
|
|
444
|
+
|
|
445
|
+
if np.isclose(phi_total, 1.0000) == True:
|
|
446
|
+
if (0.35 <= phi_chl <= 0.5 and 0.15 <= phi_pl <= 0.25 and 0.1 <= phi_qz <= 0.2
|
|
447
|
+
and 0.05 <= phi_ep <= 0.15 and 0.05 <= phi_act <= 0.1 and 0.02 <= phi_mag <= 0.05
|
|
448
|
+
and 0.02 <= phi_cal <= 0.05 and 0.0 <= phi_ap <= 0.05):
|
|
449
|
+
condition_2 = True
|
|
450
|
+
|
|
451
|
+
phi_minerals["Chl"] = phi_chl
|
|
452
|
+
phi_minerals["Pl"] = phi_pl
|
|
453
|
+
phi_minerals["Qz"] = phi_qz
|
|
454
|
+
phi_minerals["Ep"] = phi_ep
|
|
455
|
+
phi_minerals["Act"] = phi_act
|
|
456
|
+
phi_minerals["Mag"] = phi_mag
|
|
457
|
+
phi_minerals["Cal"] = phi_cal
|
|
458
|
+
phi_minerals["Ap"] = phi_ap
|
|
459
|
+
|
|
460
|
+
rho_s = 0
|
|
461
|
+
velocities_minerals = {}
|
|
462
|
+
for key, value in phi_minerals.items():
|
|
463
|
+
rho_s += phi_minerals[key]*mineralogy[key]["rho"]
|
|
464
|
+
|
|
465
|
+
velocities_minerals[key] = {}
|
|
466
|
+
velocities_minerals[key]["vP"] = mineralogy[key]["vP"]
|
|
467
|
+
velocities_minerals[key]["vS"] = mineralogy[key]["vS"]
|
|
468
|
+
|
|
469
|
+
for element, value in mineralogy[key]["chemistry"].items():
|
|
470
|
+
if element not in elements_list:
|
|
471
|
+
elements_list.append(element)
|
|
472
|
+
w_elements[element] = 0.0
|
|
473
|
+
|
|
474
|
+
if elements_list[0] not in results_container["chemistry"]:
|
|
475
|
+
for element in elements_list:
|
|
476
|
+
results_container["chemistry"][element] = []
|
|
477
|
+
|
|
478
|
+
rho_s = round(rho_s, 3)
|
|
479
|
+
|
|
480
|
+
for key, value in phi_minerals.items():
|
|
481
|
+
if key == "Urn":
|
|
482
|
+
n_digits = 4
|
|
483
|
+
else:
|
|
484
|
+
n_digits = 4
|
|
485
|
+
|
|
486
|
+
w_minerals[key] = round((phi_minerals[key]*mineralogy[key]["rho"])/rho_s, n_digits)
|
|
487
|
+
|
|
488
|
+
if self.fluid == "water":
|
|
489
|
+
data_fluid = self.data_water
|
|
490
|
+
elif self.fluid == "oil":
|
|
491
|
+
data_fluid = self.data_oil
|
|
492
|
+
elif self.fluid == "gas":
|
|
493
|
+
data_fluid = self.data_gas
|
|
494
|
+
|
|
495
|
+
old_index = elements_list.index("O")
|
|
496
|
+
elements_list += [elements_list.pop(old_index)]
|
|
497
|
+
|
|
498
|
+
w_elements_total = 0.0
|
|
499
|
+
for element in elements_list:
|
|
500
|
+
if element != "O":
|
|
501
|
+
for mineral, w_mineral in w_minerals.items():
|
|
502
|
+
if element in mineralogy[mineral]["chemistry"]:
|
|
503
|
+
if element == "U":
|
|
504
|
+
n_digits = 4
|
|
505
|
+
else:
|
|
506
|
+
n_digits = 4
|
|
507
|
+
|
|
508
|
+
value = round(w_mineral*mineralogy[mineral]["chemistry"][element], n_digits)
|
|
509
|
+
w_elements[element] += value
|
|
510
|
+
w_elements_total += value
|
|
511
|
+
|
|
512
|
+
w_elements[element] = round(w_elements[element], n_digits)
|
|
513
|
+
elif element == "O":
|
|
514
|
+
w_elements[element] += round(1 - w_elements_total, 4)
|
|
515
|
+
w_elements[element] = round(w_elements[element], 4)
|
|
516
|
+
|
|
517
|
+
total_w_minerals = round(sum(w_minerals.values()), 4)
|
|
518
|
+
total_w_elements = round(sum(w_elements.values()), 4)
|
|
519
|
+
if total_w_minerals == 1.0 and total_w_elements == 1.0:
|
|
520
|
+
for key, value in w_minerals.items():
|
|
521
|
+
w_minerals[key] = abs(value)
|
|
522
|
+
|
|
523
|
+
for key, value in w_elements.items():
|
|
524
|
+
w_elements[key] = abs(value)
|
|
525
|
+
|
|
526
|
+
condition = True
|
|
527
|
+
|
|
528
|
+
gamma_ray = 0.0
|
|
529
|
+
photoelectricity = 0.0
|
|
530
|
+
|
|
531
|
+
K_list = []
|
|
532
|
+
G_list = []
|
|
533
|
+
bulk_mod = 0
|
|
534
|
+
shear_mod = 0
|
|
535
|
+
phi_list = []
|
|
536
|
+
for key, value in phi_minerals.items():
|
|
537
|
+
gamma_ray += phi_minerals[key]*mineralogy[key]["GR"]
|
|
538
|
+
photoelectricity += phi_minerals[key]*mineralogy[key]["PE"]
|
|
539
|
+
|
|
540
|
+
gamma_ray = round(gamma_ray, 3)
|
|
541
|
+
photoelectricity = round(photoelectricity, 3)
|
|
542
|
+
|
|
543
|
+
bulk_mod += phi_minerals[key]*mineralogy[key]["K"]
|
|
544
|
+
shear_mod += phi_minerals[key]*mineralogy[key]["G"]
|
|
545
|
+
K_list.append(round(phi_minerals[key]*mineralogy[key]["K"], 3))
|
|
546
|
+
G_list.append(round(phi_minerals[key]*mineralogy[key]["G"], 3))
|
|
547
|
+
phi_list.append(phi_minerals[key])
|
|
548
|
+
|
|
549
|
+
rho = round((1 - phi_helper)*rho_s + phi_helper*data_fluid[2]/1000, 3)
|
|
550
|
+
bulk_mod = round(bulk_mod, 3)
|
|
551
|
+
shear_mod = round(shear_mod, 3)
|
|
552
|
+
youngs_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 3)
|
|
553
|
+
poisson_rat = round((3*bulk_mod - 2*shear_mod)/(6*bulk_mod + 2*shear_mod), 4)
|
|
554
|
+
vP = round(((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(rho))**0.5, 3)
|
|
555
|
+
vS = round(((shear_mod*10**9)/(rho))**0.5, 3)
|
|
556
|
+
vPvS = round(vP/vS, 3)
|
|
557
|
+
|
|
558
|
+
## RESULTS
|
|
559
|
+
for key, value in w_minerals.items():
|
|
560
|
+
results_container["mineralogy"][key].append(value)
|
|
561
|
+
|
|
562
|
+
amounts = []
|
|
563
|
+
for key, value in w_elements.items():
|
|
564
|
+
results_container["chemistry"][key].append(value)
|
|
565
|
+
chem_data = PeriodicSystem(name=key).get_data()
|
|
566
|
+
amounts.append([key, chem_data[1], value])
|
|
567
|
+
|
|
568
|
+
list_elements = list(w_elements.keys())
|
|
569
|
+
list_oxides = OxideCompounds(var_list_elements=list_elements).find_oxides()
|
|
570
|
+
composition_oxides = {}
|
|
571
|
+
|
|
572
|
+
for var_oxide in list_oxides:
|
|
573
|
+
oxide_data = OxideCompounds(var_compound=var_oxide, var_amounts=amounts).get_composition()
|
|
574
|
+
composition_oxides[var_oxide] = round(oxide_data["Oxide"][1], 4)
|
|
575
|
+
|
|
576
|
+
if list_oxides[0] not in results_container["compounds"]:
|
|
577
|
+
for oxide in list_oxides:
|
|
578
|
+
results_container["compounds"][oxide] = []
|
|
579
|
+
|
|
580
|
+
for key, value in composition_oxides.items():
|
|
581
|
+
results_container["compounds"][key].append(value)
|
|
582
|
+
|
|
583
|
+
results_container["mineralogy"] = dict(sorted(
|
|
584
|
+
results_container["mineralogy"].items(), key=lambda item: sum(item[1])/len(item[1]), reverse=True))
|
|
585
|
+
results_container["chemistry"] = dict(sorted(
|
|
586
|
+
results_container["chemistry"].items(), key=lambda item: sum(item[1])/len(item[1]), reverse=True))
|
|
587
|
+
results_container["compounds"] = dict(sorted(
|
|
588
|
+
results_container["compounds"].items(), key=lambda item: sum(item[1])/len(item[1]), reverse=True))
|
|
589
|
+
|
|
590
|
+
results_container["phi"].append(phi_helper)
|
|
591
|
+
results_container["rho_s"].append(rho_s)
|
|
592
|
+
results_container["rho"].append(rho)
|
|
593
|
+
results_container["vP"].append(vP)
|
|
594
|
+
results_container["vS"].append(vS)
|
|
595
|
+
results_container["vP/vS"].append(vPvS)
|
|
596
|
+
results_container["K"].append(bulk_mod)
|
|
597
|
+
results_container["G"].append(shear_mod)
|
|
598
|
+
results_container["E"].append(youngs_mod)
|
|
599
|
+
results_container["nu"].append(poisson_rat)
|
|
600
|
+
results_container["GR"].append(gamma_ray)
|
|
601
|
+
results_container["PE"].append(photoelectricity)
|
|
602
|
+
|
|
603
|
+
n += 1
|
|
604
|
+
|
|
605
|
+
return results_container
|
|
606
|
+
|
|
607
|
+
def create_granulite(self, number, porosity=None):
|
|
608
|
+
#
|
|
609
|
+
self.data_alkalifeldspar = Tectosilicates(impurity="pure", data_type=True).create_alkalifeldspar()
|
|
610
|
+
self.data_plagioclase = Tectosilicates(impurity="pure", data_type=True).create_plagioclase()
|
|
611
|
+
self.data_garnet_al = Nesosilicates(impurity="pure", data_type=True).create_aluminium_garnet()
|
|
612
|
+
#
|
|
613
|
+
assemblage = [self.data_quartz, self.data_alkalifeldspar, self.data_plagioclase, self.data_garnet_al,
|
|
614
|
+
self.data_kyanite, self.data_sillimanite]
|
|
615
|
+
#
|
|
616
|
+
amounts_mineralogy = {}
|
|
617
|
+
amounts_chemistry = {}
|
|
618
|
+
bulk_properties = {}
|
|
619
|
+
properties = ["rho_s", "rho", "K", "G", "E", "nu", "vP", "vS", "vPvS", "GR", "PE", "phi"]
|
|
620
|
+
for property in properties:
|
|
621
|
+
bulk_properties[property] = []
|
|
622
|
+
mineral_list = []
|
|
623
|
+
elements = []
|
|
624
|
+
for mineral in assemblage:
|
|
625
|
+
amounts_mineralogy[mineral["mineral"]] = []
|
|
626
|
+
mineral_list.append(mineral["mineral"])
|
|
627
|
+
elements_mineral = list(mineral["chemistry"].keys())
|
|
628
|
+
for element in elements_mineral:
|
|
629
|
+
if element not in elements:
|
|
630
|
+
elements.append(element)
|
|
631
|
+
amounts_chemistry[element] = []
|
|
632
|
+
mineral_list.sort()
|
|
633
|
+
elements.sort()
|
|
634
|
+
#
|
|
635
|
+
n = 0
|
|
636
|
+
amounts_helper = []
|
|
637
|
+
while n < number:
|
|
638
|
+
w_total = 0
|
|
639
|
+
n_minerals = 0
|
|
640
|
+
#x = round(rd.uniform(0.0, 1.0), 4)
|
|
641
|
+
for mineral in mineral_list:
|
|
642
|
+
if mineral == "Qz":
|
|
643
|
+
if n_minerals < len(mineral_list)-1:
|
|
644
|
+
value = round(rd.uniform(0.25, 0.65), 4)
|
|
645
|
+
#value = round(0.65 - 0.35*x, 4)
|
|
646
|
+
else:
|
|
647
|
+
value = round(1-w_total, 4)
|
|
648
|
+
if value >= 0.0 and 0.25 <= value <= 0.65:
|
|
649
|
+
amounts_helper.append(value)
|
|
650
|
+
w_total += value
|
|
651
|
+
n_minerals += 1
|
|
652
|
+
elif mineral == "Kfs":
|
|
653
|
+
if n_minerals < len(mineral_list)-1:
|
|
654
|
+
value = round(rd.uniform(0.0, 0.60), 4)
|
|
655
|
+
#value = round(0.10 + 0.50*x, 4)
|
|
656
|
+
else:
|
|
657
|
+
value = round(1-w_total, 4)
|
|
658
|
+
if value >= 0.0 and 0.0 <= value <= 0.60:
|
|
659
|
+
amounts_helper.append(value)
|
|
660
|
+
w_total += value
|
|
661
|
+
n_minerals += 1
|
|
662
|
+
elif mineral == "Pl":
|
|
663
|
+
if n_minerals < len(mineral_list)-1:
|
|
664
|
+
value = round(rd.uniform(0.0, 0.60), 4)
|
|
665
|
+
#value = round(0.15 - 0.5*x, 4)
|
|
666
|
+
else:
|
|
667
|
+
value = round(1-w_total, 4)
|
|
668
|
+
if value >= 0.0 and 0.0 <= value <= 0.60:
|
|
669
|
+
amounts_helper.append(value)
|
|
670
|
+
w_total += value
|
|
671
|
+
n_minerals += 1
|
|
672
|
+
elif mineral == "Grt":
|
|
673
|
+
if n_minerals < len(mineral_list)-1:
|
|
674
|
+
value = round(rd.uniform(0.0, 0.05), 4)
|
|
675
|
+
#value = round(0.05*(1-x), 4)
|
|
676
|
+
else:
|
|
677
|
+
value = round(1-w_total, 4)
|
|
678
|
+
if value >= 0.0 and 0.0 <= value <= 0.05:
|
|
679
|
+
amounts_helper.append(value)
|
|
680
|
+
w_total += value
|
|
681
|
+
n_minerals += 1
|
|
682
|
+
elif mineral == "Ky":
|
|
683
|
+
if n_minerals < len(mineral_list)-1:
|
|
684
|
+
value = round(rd.uniform(0.0, 0.03), 4)
|
|
685
|
+
#value = round(0.025*(1-x), 4)
|
|
686
|
+
else:
|
|
687
|
+
value = round(1-w_total, 4)
|
|
688
|
+
if value >= 0.0 and 0.0 <= value <= 0.025:
|
|
689
|
+
amounts_helper.append(value)
|
|
690
|
+
w_total += value
|
|
691
|
+
n_minerals += 1
|
|
692
|
+
elif mineral == "Sil":
|
|
693
|
+
if n_minerals < len(mineral_list)-1:
|
|
694
|
+
value = round(1-w_total, 4)
|
|
695
|
+
#value = round(0.025*(1-x), 4)
|
|
696
|
+
else:
|
|
697
|
+
value = round(1-w_total, 4)
|
|
698
|
+
if value >= 0.0 and 0.0 <= value <= 0.025:
|
|
699
|
+
amounts_helper.append(value)
|
|
700
|
+
w_total += value
|
|
701
|
+
n_minerals += 1
|
|
702
|
+
#
|
|
703
|
+
if np.sum(amounts_helper) == 1.0 and n_minerals == len(mineral_list):
|
|
704
|
+
for index, mineral in enumerate(mineral_list):
|
|
705
|
+
amounts_mineralogy[mineral].append(amounts_helper[index])
|
|
706
|
+
n += 1
|
|
707
|
+
amounts_helper.clear()
|
|
708
|
+
else:
|
|
709
|
+
n += 0
|
|
710
|
+
amounts_helper.clear()
|
|
711
|
+
#
|
|
712
|
+
n = 0
|
|
713
|
+
amounts_helper = {}
|
|
714
|
+
while n < number:
|
|
715
|
+
w_total = 0
|
|
716
|
+
n_elements = 0
|
|
717
|
+
rho_s_helper = 0
|
|
718
|
+
rho_helper = 0
|
|
719
|
+
bulkmod_helper = 0
|
|
720
|
+
shearmod_helper = 0
|
|
721
|
+
youngsmod_helper = 0
|
|
722
|
+
poisson_helper = 0
|
|
723
|
+
vP_helper = 0
|
|
724
|
+
vS_helper = 0
|
|
725
|
+
vPvS_helper = 0
|
|
726
|
+
gr_helper = 0
|
|
727
|
+
pe_helper = 0
|
|
728
|
+
if porosity == None:
|
|
729
|
+
phi_helper = round(rd.uniform(0.0, 0.05), 4)
|
|
730
|
+
else:
|
|
731
|
+
phi_helper = porosity
|
|
732
|
+
self.data_alkalifeldspar = Tectosilicates(impurity="pure", data_type=True).create_alkalifeldspar()
|
|
733
|
+
self.data_plagioclase = Tectosilicates(impurity="pure", data_type=True).create_plagioclase()
|
|
734
|
+
self.data_garnet_al = Nesosilicates(impurity="pure", data_type=True).create_aluminium_garnet()
|
|
735
|
+
for element in elements:
|
|
736
|
+
amounts_helper[element] = 0
|
|
737
|
+
if element in self.data_quartz["chemistry"]:
|
|
738
|
+
if n_elements < len(elements)-1:
|
|
739
|
+
value = round(amounts_mineralogy["Qz"][n]*self.data_quartz["chemistry"][element], 4)
|
|
740
|
+
else:
|
|
741
|
+
value = round(1-w_total, 4)
|
|
742
|
+
amounts_helper[element] += value
|
|
743
|
+
w_total += value
|
|
744
|
+
if element in self.data_alkalifeldspar["chemistry"]:
|
|
745
|
+
if n_elements < len(elements)-1:
|
|
746
|
+
value = round(amounts_mineralogy["Kfs"][n]*self.data_alkalifeldspar["chemistry"][element], 4)
|
|
747
|
+
else:
|
|
748
|
+
value = round(1-w_total, 4)
|
|
749
|
+
amounts_helper[element] += value
|
|
750
|
+
w_total += value
|
|
751
|
+
if element in self.data_plagioclase["chemistry"]:
|
|
752
|
+
if n_elements < len(elements)-1:
|
|
753
|
+
value = round(amounts_mineralogy["Pl"][n]*self.data_plagioclase["chemistry"][element], 4)
|
|
754
|
+
else:
|
|
755
|
+
value = round(1-w_total, 4)
|
|
756
|
+
amounts_helper[element] += value
|
|
757
|
+
w_total += value
|
|
758
|
+
if element in self.data_garnet_al["chemistry"]:
|
|
759
|
+
if n_elements < len(elements)-1:
|
|
760
|
+
value = round(amounts_mineralogy["Grt"][n]*self.data_garnet_al["chemistry"][element], 4)
|
|
761
|
+
else:
|
|
762
|
+
value = round(1-w_total, 4)
|
|
763
|
+
amounts_helper[element] += value
|
|
764
|
+
w_total += value
|
|
765
|
+
if element in self.data_kyanite["chemistry"]:
|
|
766
|
+
if n_elements < len(elements)-1:
|
|
767
|
+
value = round(amounts_mineralogy["Ky"][n]*self.data_kyanite["chemistry"][element], 4)
|
|
768
|
+
else:
|
|
769
|
+
value = round(1-w_total, 4)
|
|
770
|
+
amounts_helper[element] += value
|
|
771
|
+
w_total += value
|
|
772
|
+
if element in self.data_sillimanite["chemistry"]:
|
|
773
|
+
if n_elements < len(elements)-1:
|
|
774
|
+
value = round(amounts_mineralogy["Sil"][n]*self.data_sillimanite["chemistry"][element], 4)
|
|
775
|
+
else:
|
|
776
|
+
value = round(1-w_total, 4)
|
|
777
|
+
amounts_helper[element] += value
|
|
778
|
+
w_total += value
|
|
779
|
+
n_elements += 1
|
|
780
|
+
if sum(amounts_helper.values()) == 1.0:
|
|
781
|
+
for key, value in amounts_helper.items():
|
|
782
|
+
amounts_chemistry[key].append(round(value, 4))
|
|
783
|
+
for mineral in mineral_list:
|
|
784
|
+
if mineral == "Qz":
|
|
785
|
+
rho_s_helper += round(amounts_mineralogy[mineral][n]*self.data_quartz["rho"], 3)
|
|
786
|
+
bulkmod_helper += round(amounts_mineralogy[mineral][n]*self.data_quartz["K"], 3)
|
|
787
|
+
shearmod_helper += round(0.67*amounts_mineralogy[mineral][n]*self.data_quartz["G"], 3)
|
|
788
|
+
gr_helper += round(amounts_mineralogy[mineral][n]*self.data_quartz["GR"], 3)
|
|
789
|
+
pe_helper += round(amounts_mineralogy[mineral][n]*self.data_quartz["PE"], 3)
|
|
790
|
+
elif mineral == "Kfs":
|
|
791
|
+
rho_s_helper += round(amounts_mineralogy[mineral][n]*self.data_alkalifeldspar["rho"], 3)
|
|
792
|
+
bulkmod_helper += round(amounts_mineralogy[mineral][n]*self.data_alkalifeldspar["K"], 3)
|
|
793
|
+
shearmod_helper += round(0.67*amounts_mineralogy[mineral][n]*self.data_alkalifeldspar["G"], 3)
|
|
794
|
+
gr_helper += round(amounts_mineralogy[mineral][n]*self.data_alkalifeldspar["GR"], 3)
|
|
795
|
+
pe_helper += round(amounts_mineralogy[mineral][n]*self.data_alkalifeldspar["PE"], 3)
|
|
796
|
+
elif mineral == "Pl":
|
|
797
|
+
rho_s_helper += round(amounts_mineralogy[mineral][n]*self.data_plagioclase["rho"], 3)
|
|
798
|
+
bulkmod_helper += round(amounts_mineralogy[mineral][n]*self.data_plagioclase["K"], 3)
|
|
799
|
+
shearmod_helper += round(0.67*amounts_mineralogy[mineral][n]*self.data_plagioclase["G"], 3)
|
|
800
|
+
gr_helper += round(amounts_mineralogy[mineral][n]*self.data_plagioclase["GR"], 3)
|
|
801
|
+
pe_helper += round(amounts_mineralogy[mineral][n]*self.data_plagioclase["PE"], 3)
|
|
802
|
+
elif mineral == "Grt":
|
|
803
|
+
rho_s_helper += round(amounts_mineralogy[mineral][n]*self.data_garnet_al["rho"], 3)
|
|
804
|
+
bulkmod_helper += round(amounts_mineralogy[mineral][n]*self.data_garnet_al["K"], 3)
|
|
805
|
+
shearmod_helper += round(0.67*amounts_mineralogy[mineral][n]*self.data_garnet_al["G"], 3)
|
|
806
|
+
gr_helper += round(amounts_mineralogy[mineral][n]*self.data_garnet_al["GR"], 3)
|
|
807
|
+
pe_helper += round(amounts_mineralogy[mineral][n]*self.data_garnet_al["PE"], 3)
|
|
808
|
+
elif mineral == "Ky":
|
|
809
|
+
rho_s_helper += round(amounts_mineralogy[mineral][n]*self.data_kyanite["rho"], 3)
|
|
810
|
+
bulkmod_helper += round(amounts_mineralogy[mineral][n]*self.data_kyanite["K"], 3)
|
|
811
|
+
shearmod_helper += round(0.67*amounts_mineralogy[mineral][n]*self.data_kyanite["G"], 3)
|
|
812
|
+
gr_helper += round(amounts_mineralogy[mineral][n]*self.data_kyanite["GR"], 3)
|
|
813
|
+
pe_helper += round(amounts_mineralogy[mineral][n]*self.data_kyanite["PE"], 3)
|
|
814
|
+
elif mineral == "Sil":
|
|
815
|
+
rho_s_helper += round(amounts_mineralogy[mineral][n]*self.data_sillimanite["rho"], 3)
|
|
816
|
+
bulkmod_helper += round(amounts_mineralogy[mineral][n]*self.data_sillimanite["K"], 3)
|
|
817
|
+
shearmod_helper += round(0.67*amounts_mineralogy[mineral][n]*self.data_sillimanite["G"], 3)
|
|
818
|
+
gr_helper += round(amounts_mineralogy[mineral][n]*self.data_sillimanite["GR"], 3)
|
|
819
|
+
pe_helper += round(amounts_mineralogy[mineral][n]*self.data_sillimanite["PE"], 3)
|
|
820
|
+
#
|
|
821
|
+
rho_helper = round((1-phi_helper)*rho_s_helper + phi_helper*self.data_water[2]/1000, 3)
|
|
822
|
+
youngsmod_helper = round((9*bulkmod_helper*shearmod_helper)/(3*bulkmod_helper + shearmod_helper), 3)
|
|
823
|
+
poisson_helper = round((3*bulkmod_helper - 2*shearmod_helper)/(6*bulkmod_helper + 2*shearmod_helper), 3)
|
|
824
|
+
vP_helper = round(((bulkmod_helper*10**9 + 4/3*shearmod_helper*10**9)/(rho_helper))**0.5, 3)
|
|
825
|
+
vS_helper = round(((shearmod_helper*10**9)/(rho_helper))**0.5, 3)
|
|
826
|
+
vPvS_helper_helper = round(vP_helper/vS_helper, 3)
|
|
827
|
+
#
|
|
828
|
+
bulk_properties["rho_s"].append(round(rho_s_helper, 3))
|
|
829
|
+
bulk_properties["rho"].append(rho_helper)
|
|
830
|
+
bulk_properties["K"].append(round(bulkmod_helper, 3))
|
|
831
|
+
bulk_properties["G"].append(round(shearmod_helper, 3))
|
|
832
|
+
bulk_properties["E"].append(youngsmod_helper)
|
|
833
|
+
bulk_properties["nu"].append(poisson_helper)
|
|
834
|
+
bulk_properties["vP"].append(vP_helper)
|
|
835
|
+
bulk_properties["vS"].append(vS_helper)
|
|
836
|
+
bulk_properties["vPvS"].append(vPvS_helper_helper)
|
|
837
|
+
bulk_properties["GR"].append(round(gr_helper, 3))
|
|
838
|
+
bulk_properties["PE"].append(round(pe_helper, 3))
|
|
839
|
+
bulk_properties["phi"].append(round(phi_helper, 3))
|
|
840
|
+
n += 1
|
|
841
|
+
#
|
|
842
|
+
# for key, value in amounts_mineralogy.items():
|
|
843
|
+
# print("Mineral:", key, "Mean:", round(np.mean(value)*100, 4), "STD:", round(np.std(value, ddof=1)*100, 4))
|
|
844
|
+
# print("")
|
|
845
|
+
# for key, value in amounts_chemistry.items():
|
|
846
|
+
# print("Element:", key, "Mean:", round(np.mean(value)*100, 4), "STD:", round(np.std(value, ddof=1)*100, 4))
|
|
847
|
+
# print("")
|
|
848
|
+
# for key, value in bulk_properties.items():
|
|
849
|
+
# print("Property:", key, "Mean:", round(np.mean(value), 4), "STD:", round(np.std(value, ddof=1), 4))
|
|
850
|
+
#
|
|
851
|
+
results = {}
|
|
852
|
+
results["rock"] = "Granulite"
|
|
853
|
+
if number > 1:
|
|
854
|
+
results["mineralogy"] = amounts_mineralogy
|
|
855
|
+
results["chemistry"] = amounts_chemistry
|
|
856
|
+
results["phi"] = bulk_properties["phi"]
|
|
857
|
+
results["fluid"] = "water"
|
|
858
|
+
results["rho_s"] = bulk_properties["rho_s"]
|
|
859
|
+
results["rho"] = bulk_properties["rho"]
|
|
860
|
+
results["vP"] = bulk_properties["vP"]
|
|
861
|
+
results["vS"] = bulk_properties["vS"]
|
|
862
|
+
results["vP/vS"] = bulk_properties["vPvS"]
|
|
863
|
+
results["K"] = bulk_properties["K"]
|
|
864
|
+
results["G"] = bulk_properties["G"]
|
|
865
|
+
results["E"] = bulk_properties["E"]
|
|
866
|
+
results["nu"] = bulk_properties["nu"]
|
|
867
|
+
results["GR"] = bulk_properties["GR"]
|
|
868
|
+
results["PE"] = bulk_properties["PE"]
|
|
869
|
+
else:
|
|
870
|
+
single_amounts_mineralogy = {}
|
|
871
|
+
single_amounts_chemistry = {}
|
|
872
|
+
for mineral, value in amounts_mineralogy.items():
|
|
873
|
+
single_amounts_mineralogy[mineral] = value[0]
|
|
874
|
+
for element, value in amounts_chemistry.items():
|
|
875
|
+
single_amounts_chemistry[element] = value[0]
|
|
876
|
+
results["mineralogy"] = single_amounts_mineralogy
|
|
877
|
+
results["chemistry"] = single_amounts_chemistry
|
|
878
|
+
results["phi"] = bulk_properties["phi"][0]
|
|
879
|
+
results["fluid"] = "water"
|
|
880
|
+
results["rho_s"] = bulk_properties["rho_s"][0]
|
|
881
|
+
results["rho"] = bulk_properties["rho"][0]
|
|
882
|
+
results["vP"] = bulk_properties["vP"][0]
|
|
883
|
+
results["vS"] = bulk_properties["vS"][0]
|
|
884
|
+
results["vP/vS"] = bulk_properties["vPvS"][0]
|
|
885
|
+
results["K"] = bulk_properties["K"][0]
|
|
886
|
+
results["G"] = bulk_properties["G"][0]
|
|
887
|
+
results["E"] = bulk_properties["E"][0]
|
|
888
|
+
results["nu"] = bulk_properties["nu"][0]
|
|
889
|
+
results["GR"] = bulk_properties["GR"][0]
|
|
890
|
+
results["PE"] = bulk_properties["PE"][0]
|
|
891
|
+
#
|
|
892
|
+
return results
|
|
893
|
+
#
|
|
894
|
+
class GreenschistFacies:
|
|
895
|
+
#
|
|
896
|
+
def __init__(self, fluid="water", actual_thickness=100, porosity=None):
|
|
897
|
+
self.fluid = fluid
|
|
898
|
+
self.actualThickness = actual_thickness
|
|
899
|
+
self.porosity = porosity
|
|
900
|
+
|
|
901
|
+
## Minerals
|
|
902
|
+
self.data_brucite = Oxides(impurity="pure", data_type=True).create_brucite()
|
|
903
|
+
self.data_quartz = Oxides(impurity="pure", data_type=True).create_quartz()
|
|
904
|
+
self.data_kyanite = Nesosilicates(impurity="pure", data_type=True).create_kyanite()
|
|
905
|
+
self.data_sillimanite = Nesosilicates(impurity="pure", data_type=True).create_sillimanite()
|
|
906
|
+
self.data_diopside = Inosilicates(impurity="pure", data_type=True).create_diopside()
|
|
907
|
+
self.data_tremolite = Inosilicates(impurity="pure", data_type=True).create_tremolite()
|
|
908
|
+
self.data_epidote = Sorosilicates(impurity="pure", data_type=True).create_epidote()
|
|
909
|
+
self.data_chrysotile = Phyllosilicates(impurity="pure", data_type=True).create_chrysotile()
|
|
910
|
+
self.data_pyrophyllite = Phyllosilicates(impurity="pure", data_type=True).create_pyrophyllite()
|
|
911
|
+
self.data_talc = Phyllosilicates(impurity="pure", data_type=True).create_talc()
|
|
912
|
+
self.data_magnetite = Oxides(data_type=True).create_magnetite()
|
|
913
|
+
self.data_hematite = Oxides(data_type=True).create_hematite()
|
|
914
|
+
self.data_calcite = Carbonates(data_type=True).create_calcite()
|
|
915
|
+
self.data_dolomite = Carbonates(data_type=True).create_dolomite()
|
|
916
|
+
|
|
917
|
+
## Fluids
|
|
918
|
+
self.data_water = Water.water("")
|
|
919
|
+
|
|
920
|
+
def create_greenstone(self, number=1, composition=None):
|
|
921
|
+
results_container = {}
|
|
922
|
+
results_container["rock"] = "Greenstone"
|
|
923
|
+
results_container["mineralogy"] = {}
|
|
924
|
+
results_container["chemistry"] = {}
|
|
925
|
+
results_container["compounds"] = {}
|
|
926
|
+
results_container["phi"] = []
|
|
927
|
+
results_container["fluid"] = self.fluid
|
|
928
|
+
results_container["rho_s"] = []
|
|
929
|
+
results_container["rho"] = []
|
|
930
|
+
results_container["vP"] = []
|
|
931
|
+
results_container["vS"] = []
|
|
932
|
+
results_container["vP/vS"] = []
|
|
933
|
+
results_container["K"] = []
|
|
934
|
+
results_container["G"] = []
|
|
935
|
+
results_container["E"] = []
|
|
936
|
+
results_container["nu"] = []
|
|
937
|
+
results_container["GR"] = []
|
|
938
|
+
results_container["PE"] = []
|
|
939
|
+
|
|
940
|
+
n = 0
|
|
941
|
+
while n < number: # sex
|
|
942
|
+
data_actinolite = Inosilicates(impurity="pure", data_type=True).create_actinolite()
|
|
943
|
+
data_chlorite = Phyllosilicates(impurity="pure", data_type=True).create_chlorite()
|
|
944
|
+
data_plagioclase = Tectosilicates(impurity="pure", data_type=True).create_plagioclase(enrichment="Na")
|
|
945
|
+
data_apatite = Phosphates(data_type=True).create_aptite()
|
|
946
|
+
|
|
947
|
+
mineralogy = {"Chl": data_chlorite, "Pl": data_plagioclase, "Qz": self.data_quartz, "Ep": self.data_epidote,
|
|
948
|
+
"Act": data_actinolite, "Mag": self.data_magnetite, "Cal": self.data_calcite,
|
|
949
|
+
"Ap": data_apatite}
|
|
950
|
+
|
|
951
|
+
minerals_list = list(mineralogy.keys())
|
|
952
|
+
|
|
953
|
+
if minerals_list[0] not in results_container["mineralogy"]:
|
|
954
|
+
for mineral in minerals_list:
|
|
955
|
+
results_container["mineralogy"][mineral] = []
|
|
956
|
+
|
|
957
|
+
if self.porosity == None:
|
|
958
|
+
phi_helper = round(rd.uniform(0.0, 0.1), 4)
|
|
959
|
+
else:
|
|
960
|
+
phi_helper = round(rd.uniform(self.porosity[0], self.porosity[1]), 4)
|
|
961
|
+
|
|
962
|
+
condition = False
|
|
963
|
+
|
|
964
|
+
while condition == False:
|
|
965
|
+
elements_list = []
|
|
966
|
+
phi_minerals = {}
|
|
967
|
+
w_minerals = {}
|
|
968
|
+
w_elements = {}
|
|
969
|
+
|
|
970
|
+
if composition != None:
|
|
971
|
+
phi_chl = composition["Chl"]
|
|
972
|
+
phi_pl = composition["Pl"]
|
|
973
|
+
phi_qz = composition["Qz"]
|
|
974
|
+
phi_ep = composition["Ep"]
|
|
975
|
+
phi_act = composition["Act"]
|
|
976
|
+
phi_mag = composition["Mag"]
|
|
977
|
+
phi_cal = composition["Cal"]
|
|
978
|
+
phi_ap = composition["Ap"]
|
|
979
|
+
|
|
980
|
+
phi_minerals["Chl"] = phi_chl
|
|
981
|
+
phi_minerals["Pl"] = phi_pl
|
|
982
|
+
phi_minerals["Qz"] = phi_qz
|
|
983
|
+
phi_minerals["Ep"] = phi_ep
|
|
984
|
+
phi_minerals["Act"] = phi_act
|
|
985
|
+
phi_minerals["Mag"] = phi_mag
|
|
986
|
+
phi_minerals["Cal"] = phi_cal
|
|
987
|
+
phi_minerals["Ap"] = phi_ap
|
|
988
|
+
else:
|
|
989
|
+
condition_2 = False
|
|
990
|
+
while condition_2 == False:
|
|
991
|
+
phi_chl = round(rd.uniform(0.35, 0.50), 4)
|
|
992
|
+
phi_pl = round(rd.uniform(0.15, 0.25), 4)
|
|
993
|
+
phi_qz = round(rd.uniform(0.1, 0.2), 4)
|
|
994
|
+
phi_ep = round(rd.uniform(0.05, (1.0 - phi_chl - phi_pl - phi_qz)), 4)
|
|
995
|
+
phi_act = round(rd.uniform(0.05, (1.0 - phi_chl - phi_pl - phi_qz - phi_ep)), 4)
|
|
996
|
+
phi_mag = round(rd.uniform(0.002, (1.0 - phi_chl - phi_pl - phi_qz - phi_ep - phi_act)), 4)
|
|
997
|
+
phi_cal = round(
|
|
998
|
+
rd.uniform(0.0, (1.0 - phi_chl - phi_pl - phi_qz - phi_ep - phi_act - phi_mag)), 4)
|
|
999
|
+
phi_ap = round(1 - phi_chl - phi_pl - phi_qz - phi_ep - phi_act - phi_mag - phi_cal, 4)
|
|
1000
|
+
phi_total = phi_chl + phi_pl + phi_qz + phi_ep + phi_act + phi_mag + phi_cal + phi_ap
|
|
1001
|
+
|
|
1002
|
+
if np.isclose(phi_total, 1.0000) == True:
|
|
1003
|
+
if (0.35 <= phi_chl <= 0.5 and 0.15 <= phi_pl <= 0.25 and 0.1 <= phi_qz <= 0.2
|
|
1004
|
+
and 0.05 <= phi_ep <= 0.15 and 0.05 <= phi_act <= 0.1 and 0.02 <= phi_mag <= 0.05
|
|
1005
|
+
and 0.02 <= phi_cal <= 0.05 and 0.0 <= phi_ap <= 0.05):
|
|
1006
|
+
condition_2 = True
|
|
1007
|
+
|
|
1008
|
+
phi_minerals["Chl"] = phi_chl
|
|
1009
|
+
phi_minerals["Pl"] = phi_pl
|
|
1010
|
+
phi_minerals["Qz"] = phi_qz
|
|
1011
|
+
phi_minerals["Ep"] = phi_ep
|
|
1012
|
+
phi_minerals["Act"] = phi_act
|
|
1013
|
+
phi_minerals["Mag"] = phi_mag
|
|
1014
|
+
phi_minerals["Cal"] = phi_cal
|
|
1015
|
+
phi_minerals["Ap"] = phi_ap
|
|
1016
|
+
|
|
1017
|
+
rho_s = 0
|
|
1018
|
+
velocities_minerals = {}
|
|
1019
|
+
for key, value in phi_minerals.items():
|
|
1020
|
+
rho_s += phi_minerals[key]*mineralogy[key]["rho"]
|
|
1021
|
+
|
|
1022
|
+
velocities_minerals[key] = {}
|
|
1023
|
+
velocities_minerals[key]["vP"] = mineralogy[key]["vP"]
|
|
1024
|
+
velocities_minerals[key]["vS"] = mineralogy[key]["vS"]
|
|
1025
|
+
|
|
1026
|
+
for element, value in mineralogy[key]["chemistry"].items():
|
|
1027
|
+
if element not in elements_list:
|
|
1028
|
+
elements_list.append(element)
|
|
1029
|
+
w_elements[element] = 0.0
|
|
1030
|
+
|
|
1031
|
+
if elements_list[0] not in results_container["chemistry"]:
|
|
1032
|
+
for element in elements_list:
|
|
1033
|
+
results_container["chemistry"][element] = []
|
|
1034
|
+
|
|
1035
|
+
rho_s = round(rho_s, 3)
|
|
1036
|
+
|
|
1037
|
+
for key, value in phi_minerals.items():
|
|
1038
|
+
if key == "Urn":
|
|
1039
|
+
n_digits = 4
|
|
1040
|
+
else:
|
|
1041
|
+
n_digits = 4
|
|
1042
|
+
|
|
1043
|
+
w_minerals[key] = round((phi_minerals[key]*mineralogy[key]["rho"])/rho_s, n_digits)
|
|
1044
|
+
|
|
1045
|
+
if self.fluid == "water":
|
|
1046
|
+
data_fluid = self.data_water
|
|
1047
|
+
elif self.fluid == "oil":
|
|
1048
|
+
data_fluid = self.data_oil
|
|
1049
|
+
elif self.fluid == "gas":
|
|
1050
|
+
data_fluid = self.data_gas
|
|
1051
|
+
|
|
1052
|
+
old_index = elements_list.index("O")
|
|
1053
|
+
elements_list += [elements_list.pop(old_index)]
|
|
1054
|
+
|
|
1055
|
+
w_elements_total = 0.0
|
|
1056
|
+
for element in elements_list:
|
|
1057
|
+
if element != "O":
|
|
1058
|
+
for mineral, w_mineral in w_minerals.items():
|
|
1059
|
+
if element in mineralogy[mineral]["chemistry"]:
|
|
1060
|
+
if element == "U":
|
|
1061
|
+
n_digits = 4
|
|
1062
|
+
else:
|
|
1063
|
+
n_digits = 4
|
|
1064
|
+
|
|
1065
|
+
value = round(w_mineral*mineralogy[mineral]["chemistry"][element], n_digits)
|
|
1066
|
+
w_elements[element] += value
|
|
1067
|
+
w_elements_total += value
|
|
1068
|
+
|
|
1069
|
+
w_elements[element] = round(w_elements[element], n_digits)
|
|
1070
|
+
elif element == "O":
|
|
1071
|
+
w_elements[element] += round(1 - w_elements_total, 4)
|
|
1072
|
+
w_elements[element] = round(w_elements[element], 4)
|
|
1073
|
+
|
|
1074
|
+
total_w_minerals = round(sum(w_minerals.values()), 4)
|
|
1075
|
+
total_w_elements = round(sum(w_elements.values()), 4)
|
|
1076
|
+
if total_w_minerals == 1.0 and total_w_elements == 1.0:
|
|
1077
|
+
for key, value in w_minerals.items():
|
|
1078
|
+
w_minerals[key] = abs(value)
|
|
1079
|
+
|
|
1080
|
+
for key, value in w_elements.items():
|
|
1081
|
+
w_elements[key] = abs(value)
|
|
1082
|
+
|
|
1083
|
+
condition = True
|
|
1084
|
+
|
|
1085
|
+
gamma_ray = 0.0
|
|
1086
|
+
photoelectricity = 0.0
|
|
1087
|
+
|
|
1088
|
+
K_list = []
|
|
1089
|
+
G_list = []
|
|
1090
|
+
bulk_mod = 0
|
|
1091
|
+
shear_mod = 0
|
|
1092
|
+
phi_list = []
|
|
1093
|
+
for key, value in phi_minerals.items():
|
|
1094
|
+
gamma_ray += phi_minerals[key]*mineralogy[key]["GR"]
|
|
1095
|
+
photoelectricity += phi_minerals[key]*mineralogy[key]["PE"]
|
|
1096
|
+
|
|
1097
|
+
gamma_ray = round(gamma_ray, 3)
|
|
1098
|
+
photoelectricity = round(photoelectricity, 3)
|
|
1099
|
+
|
|
1100
|
+
bulk_mod += phi_minerals[key]*mineralogy[key]["K"]
|
|
1101
|
+
shear_mod += phi_minerals[key]*mineralogy[key]["G"]
|
|
1102
|
+
K_list.append(round(phi_minerals[key]*mineralogy[key]["K"], 3))
|
|
1103
|
+
G_list.append(round(phi_minerals[key]*mineralogy[key]["G"], 3))
|
|
1104
|
+
phi_list.append(phi_minerals[key])
|
|
1105
|
+
|
|
1106
|
+
rho = round((1 - phi_helper)*rho_s + phi_helper*data_fluid[2]/1000, 3)
|
|
1107
|
+
bulk_mod = round(bulk_mod, 3)
|
|
1108
|
+
shear_mod = round(shear_mod, 3)
|
|
1109
|
+
youngs_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 3)
|
|
1110
|
+
poisson_rat = round((3*bulk_mod - 2*shear_mod)/(6*bulk_mod + 2*shear_mod), 4)
|
|
1111
|
+
vP = round(((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(rho))**0.5, 3)
|
|
1112
|
+
vS = round(((shear_mod*10**9)/(rho))**0.5, 3)
|
|
1113
|
+
vPvS = round(vP/vS, 3)
|
|
1114
|
+
|
|
1115
|
+
## RESULTS
|
|
1116
|
+
for key, value in w_minerals.items():
|
|
1117
|
+
results_container["mineralogy"][key].append(value)
|
|
1118
|
+
|
|
1119
|
+
amounts = []
|
|
1120
|
+
for key, value in w_elements.items():
|
|
1121
|
+
results_container["chemistry"][key].append(value)
|
|
1122
|
+
chem_data = PeriodicSystem(name=key).get_data()
|
|
1123
|
+
amounts.append([key, chem_data[1], value])
|
|
1124
|
+
|
|
1125
|
+
list_elements = list(w_elements.keys())
|
|
1126
|
+
list_oxides = OxideCompounds(var_list_elements=list_elements).find_oxides()
|
|
1127
|
+
composition_oxides = {}
|
|
1128
|
+
|
|
1129
|
+
for var_oxide in list_oxides:
|
|
1130
|
+
oxide_data = OxideCompounds(var_compound=var_oxide, var_amounts=amounts).get_composition()
|
|
1131
|
+
composition_oxides[var_oxide] = round(oxide_data["Oxide"][1], 4)
|
|
1132
|
+
|
|
1133
|
+
if list_oxides[0] not in results_container["compounds"]:
|
|
1134
|
+
for oxide in list_oxides:
|
|
1135
|
+
results_container["compounds"][oxide] = []
|
|
1136
|
+
|
|
1137
|
+
for key, value in composition_oxides.items():
|
|
1138
|
+
results_container["compounds"][key].append(value)
|
|
1139
|
+
|
|
1140
|
+
results_container["mineralogy"] = dict(sorted(
|
|
1141
|
+
results_container["mineralogy"].items(), key=lambda item: sum(item[1])/len(item[1]), reverse=True))
|
|
1142
|
+
results_container["chemistry"] = dict(sorted(
|
|
1143
|
+
results_container["chemistry"].items(), key=lambda item: sum(item[1])/len(item[1]), reverse=True))
|
|
1144
|
+
results_container["compounds"] = dict(sorted(
|
|
1145
|
+
results_container["compounds"].items(), key=lambda item: sum(item[1])/len(item[1]), reverse=True))
|
|
1146
|
+
|
|
1147
|
+
results_container["phi"].append(phi_helper)
|
|
1148
|
+
results_container["rho_s"].append(rho_s)
|
|
1149
|
+
results_container["rho"].append(rho)
|
|
1150
|
+
results_container["vP"].append(vP)
|
|
1151
|
+
results_container["vS"].append(vS)
|
|
1152
|
+
results_container["vP/vS"].append(vPvS)
|
|
1153
|
+
results_container["K"].append(bulk_mod)
|
|
1154
|
+
results_container["G"].append(shear_mod)
|
|
1155
|
+
results_container["E"].append(youngs_mod)
|
|
1156
|
+
results_container["nu"].append(poisson_rat)
|
|
1157
|
+
results_container["GR"].append(gamma_ray)
|
|
1158
|
+
results_container["PE"].append(photoelectricity)
|
|
1159
|
+
|
|
1160
|
+
n += 1
|
|
1161
|
+
|
|
1162
|
+
return results_container
|
|
1163
|
+
|
|
1164
|
+
def create_greenschist_basaltic_alt(self, number=1, composition=None):
|
|
1165
|
+
results_container = {}
|
|
1166
|
+
results_container["rock"] = "Greenschist"
|
|
1167
|
+
results_container["mineralogy"] = {}
|
|
1168
|
+
results_container["chemistry"] = {}
|
|
1169
|
+
results_container["compounds"] = {}
|
|
1170
|
+
results_container["phi"] = []
|
|
1171
|
+
results_container["fluid"] = self.fluid
|
|
1172
|
+
results_container["rho_s"] = []
|
|
1173
|
+
results_container["rho"] = []
|
|
1174
|
+
results_container["vP"] = []
|
|
1175
|
+
results_container["vS"] = []
|
|
1176
|
+
results_container["vP/vS"] = []
|
|
1177
|
+
results_container["K"] = []
|
|
1178
|
+
results_container["G"] = []
|
|
1179
|
+
results_container["E"] = []
|
|
1180
|
+
results_container["nu"] = []
|
|
1181
|
+
results_container["GR"] = []
|
|
1182
|
+
results_container["PE"] = []
|
|
1183
|
+
|
|
1184
|
+
n = 0
|
|
1185
|
+
while n < number:
|
|
1186
|
+
data_actinolite = Inosilicates(impurity="pure", data_type=True).create_actinolite()
|
|
1187
|
+
data_chlorite = Phyllosilicates(impurity="pure", data_type=True).create_chlorite()
|
|
1188
|
+
data_plagioclase = Tectosilicates(impurity="pure", data_type=True).create_plagioclase()
|
|
1189
|
+
data_apatite = Phosphates(data_type=True).create_aptite()
|
|
1190
|
+
|
|
1191
|
+
mineralogy = {"Chl": data_chlorite, "Act": data_actinolite, "Pl": data_plagioclase, "Ep": self.data_epidote,
|
|
1192
|
+
"Ap": data_apatite}
|
|
1193
|
+
|
|
1194
|
+
minerals_list = list(mineralogy.keys())
|
|
1195
|
+
|
|
1196
|
+
if minerals_list[0] not in results_container["mineralogy"]:
|
|
1197
|
+
for mineral in minerals_list:
|
|
1198
|
+
results_container["mineralogy"][mineral] = []
|
|
1199
|
+
|
|
1200
|
+
if self.porosity == None:
|
|
1201
|
+
phi_helper = round(rd.uniform(0.0, 0.1), 4)
|
|
1202
|
+
else:
|
|
1203
|
+
phi_helper = round(rd.uniform(self.porosity[0], self.porosity[1]), 4)
|
|
1204
|
+
|
|
1205
|
+
condition = False
|
|
1206
|
+
|
|
1207
|
+
while condition == False:
|
|
1208
|
+
elements_list = []
|
|
1209
|
+
phi_minerals = {}
|
|
1210
|
+
w_minerals = {}
|
|
1211
|
+
w_elements = {}
|
|
1212
|
+
|
|
1213
|
+
if composition != None:
|
|
1214
|
+
phi_chl = composition["Chl"]
|
|
1215
|
+
phi_act = composition["Act"]
|
|
1216
|
+
phi_pl = composition["Pl"]
|
|
1217
|
+
phi_ep = composition["Ep"]
|
|
1218
|
+
phi_ap = composition["Ap"]
|
|
1219
|
+
|
|
1220
|
+
phi_minerals["Chl"] = phi_chl
|
|
1221
|
+
phi_minerals["Act"] = phi_act
|
|
1222
|
+
phi_minerals["Pl"] = phi_pl
|
|
1223
|
+
phi_minerals["Ep"] = phi_ep
|
|
1224
|
+
phi_minerals["Ap"] = phi_ap
|
|
1225
|
+
else:
|
|
1226
|
+
condition_2 = False
|
|
1227
|
+
while condition_2 == False:
|
|
1228
|
+
phi_act = round(rd.uniform(0.20, 0.30), 4)
|
|
1229
|
+
phi_chl = round(rd.uniform(0.25, (1.0 - phi_act)), 4)
|
|
1230
|
+
phi_pl = round(rd.uniform(0.2, (1.0 - phi_act - phi_chl)), 4)
|
|
1231
|
+
phi_ep = round(rd.uniform(0.05, (1.0 - phi_act - phi_chl - phi_pl)), 4)
|
|
1232
|
+
phi_ap = round(1 - phi_act - phi_chl - phi_pl - phi_ep, 4)
|
|
1233
|
+
phi_total = phi_act + phi_chl + phi_pl + phi_ep + phi_ap
|
|
1234
|
+
|
|
1235
|
+
if np.isclose(phi_total, 1.0000) == True:
|
|
1236
|
+
if 0.2 <= phi_act <= 0.3 and 0.25 <= phi_chl <= 0.5 and 0.2 <= phi_pl <= 0.55 \
|
|
1237
|
+
and 0.0 <= phi_ep <= 0.15 and 0.0 <= phi_ap <= 0.1:
|
|
1238
|
+
condition_2 = True
|
|
1239
|
+
|
|
1240
|
+
phi_minerals["Chl"] = phi_chl
|
|
1241
|
+
phi_minerals["Act"] = phi_act
|
|
1242
|
+
phi_minerals["Pl"] = phi_pl
|
|
1243
|
+
phi_minerals["Ep"] = phi_ep
|
|
1244
|
+
phi_minerals["Ap"] = phi_ap
|
|
1245
|
+
|
|
1246
|
+
rho_s = 0
|
|
1247
|
+
velocities_minerals = {}
|
|
1248
|
+
for key, value in phi_minerals.items():
|
|
1249
|
+
rho_s += phi_minerals[key]*mineralogy[key]["rho"]
|
|
1250
|
+
|
|
1251
|
+
velocities_minerals[key] = {}
|
|
1252
|
+
velocities_minerals[key]["vP"] = mineralogy[key]["vP"]
|
|
1253
|
+
velocities_minerals[key]["vS"] = mineralogy[key]["vS"]
|
|
1254
|
+
|
|
1255
|
+
for element, value in mineralogy[key]["chemistry"].items():
|
|
1256
|
+
if element not in elements_list:
|
|
1257
|
+
elements_list.append(element)
|
|
1258
|
+
w_elements[element] = 0.0
|
|
1259
|
+
|
|
1260
|
+
if elements_list[0] not in results_container["chemistry"]:
|
|
1261
|
+
for element in elements_list:
|
|
1262
|
+
results_container["chemistry"][element] = []
|
|
1263
|
+
|
|
1264
|
+
rho_s = round(rho_s, 3)
|
|
1265
|
+
|
|
1266
|
+
for key, value in phi_minerals.items():
|
|
1267
|
+
if key == "Urn":
|
|
1268
|
+
n_digits = 4
|
|
1269
|
+
else:
|
|
1270
|
+
n_digits = 4
|
|
1271
|
+
|
|
1272
|
+
w_minerals[key] = round((phi_minerals[key]*mineralogy[key]["rho"])/rho_s, n_digits)
|
|
1273
|
+
|
|
1274
|
+
if self.fluid == "water":
|
|
1275
|
+
data_fluid = self.data_water
|
|
1276
|
+
elif self.fluid == "oil":
|
|
1277
|
+
data_fluid = self.data_oil
|
|
1278
|
+
elif self.fluid == "gas":
|
|
1279
|
+
data_fluid = self.data_gas
|
|
1280
|
+
|
|
1281
|
+
old_index = elements_list.index("O")
|
|
1282
|
+
elements_list += [elements_list.pop(old_index)]
|
|
1283
|
+
|
|
1284
|
+
w_elements_total = 0.0
|
|
1285
|
+
for element in elements_list:
|
|
1286
|
+
if element != "O":
|
|
1287
|
+
for mineral, w_mineral in w_minerals.items():
|
|
1288
|
+
if element in mineralogy[mineral]["chemistry"]:
|
|
1289
|
+
if element == "U":
|
|
1290
|
+
n_digits = 4
|
|
1291
|
+
else:
|
|
1292
|
+
n_digits = 4
|
|
1293
|
+
|
|
1294
|
+
value = round(w_mineral*mineralogy[mineral]["chemistry"][element], n_digits)
|
|
1295
|
+
w_elements[element] += value
|
|
1296
|
+
w_elements_total += value
|
|
1297
|
+
|
|
1298
|
+
w_elements[element] = round(w_elements[element], n_digits)
|
|
1299
|
+
elif element == "O":
|
|
1300
|
+
w_elements[element] += round(1 - w_elements_total, 4)
|
|
1301
|
+
w_elements[element] = round(w_elements[element], 4)
|
|
1302
|
+
|
|
1303
|
+
total_w_minerals = round(sum(w_minerals.values()), 4)
|
|
1304
|
+
total_w_elements = round(sum(w_elements.values()), 4)
|
|
1305
|
+
if total_w_minerals == 1.0 and total_w_elements == 1.0:
|
|
1306
|
+
for key, value in w_minerals.items():
|
|
1307
|
+
w_minerals[key] = abs(value)
|
|
1308
|
+
|
|
1309
|
+
for key, value in w_elements.items():
|
|
1310
|
+
w_elements[key] = abs(value)
|
|
1311
|
+
|
|
1312
|
+
condition = True
|
|
1313
|
+
|
|
1314
|
+
gamma_ray = 0.0
|
|
1315
|
+
photoelectricity = 0.0
|
|
1316
|
+
|
|
1317
|
+
K_list = []
|
|
1318
|
+
G_list = []
|
|
1319
|
+
bulk_mod = 0
|
|
1320
|
+
shear_mod = 0
|
|
1321
|
+
phi_list = []
|
|
1322
|
+
for key, value in phi_minerals.items():
|
|
1323
|
+
gamma_ray += phi_minerals[key]*mineralogy[key]["GR"]
|
|
1324
|
+
photoelectricity += phi_minerals[key]*mineralogy[key]["PE"]
|
|
1325
|
+
|
|
1326
|
+
gamma_ray = round(gamma_ray, 3)
|
|
1327
|
+
photoelectricity = round(photoelectricity, 3)
|
|
1328
|
+
|
|
1329
|
+
bulk_mod += phi_minerals[key]*mineralogy[key]["K"]
|
|
1330
|
+
shear_mod += phi_minerals[key]*mineralogy[key]["G"]
|
|
1331
|
+
K_list.append(round(phi_minerals[key]*mineralogy[key]["K"], 3))
|
|
1332
|
+
G_list.append(round(phi_minerals[key]*mineralogy[key]["G"], 3))
|
|
1333
|
+
phi_list.append(phi_minerals[key])
|
|
1334
|
+
|
|
1335
|
+
rho = round((1 - phi_helper)*rho_s + phi_helper*data_fluid[2]/1000, 3)
|
|
1336
|
+
bulk_mod = round(bulk_mod, 3)
|
|
1337
|
+
shear_mod = round(shear_mod, 3)
|
|
1338
|
+
youngs_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 3)
|
|
1339
|
+
poisson_rat = round((3*bulk_mod - 2*shear_mod)/(6*bulk_mod + 2*shear_mod), 4)
|
|
1340
|
+
vP = round(((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(rho))**0.5, 3)
|
|
1341
|
+
vS = round(((shear_mod*10**9)/(rho))**0.5, 3)
|
|
1342
|
+
vPvS = round(vP/vS, 3)
|
|
1343
|
+
|
|
1344
|
+
## RESULTS
|
|
1345
|
+
for key, value in w_minerals.items():
|
|
1346
|
+
results_container["mineralogy"][key].append(value)
|
|
1347
|
+
|
|
1348
|
+
amounts = []
|
|
1349
|
+
for key, value in w_elements.items():
|
|
1350
|
+
results_container["chemistry"][key].append(value)
|
|
1351
|
+
chem_data = PeriodicSystem(name=key).get_data()
|
|
1352
|
+
amounts.append([key, chem_data[1], value])
|
|
1353
|
+
|
|
1354
|
+
list_elements = list(w_elements.keys())
|
|
1355
|
+
list_oxides = OxideCompounds(var_list_elements=list_elements).find_oxides()
|
|
1356
|
+
composition_oxides = {}
|
|
1357
|
+
|
|
1358
|
+
for var_oxide in list_oxides:
|
|
1359
|
+
oxide_data = OxideCompounds(var_compound=var_oxide, var_amounts=amounts).get_composition()
|
|
1360
|
+
composition_oxides[var_oxide] = round(oxide_data["Oxide"][1], 4)
|
|
1361
|
+
|
|
1362
|
+
if list_oxides[0] not in results_container["compounds"]:
|
|
1363
|
+
for oxide in list_oxides:
|
|
1364
|
+
results_container["compounds"][oxide] = []
|
|
1365
|
+
|
|
1366
|
+
for key, value in composition_oxides.items():
|
|
1367
|
+
results_container["compounds"][key].append(value)
|
|
1368
|
+
|
|
1369
|
+
results_container["mineralogy"] = dict(sorted(
|
|
1370
|
+
results_container["mineralogy"].items(), key=lambda item: sum(item[1])/len(item[1]), reverse=True))
|
|
1371
|
+
results_container["chemistry"] = dict(sorted(
|
|
1372
|
+
results_container["chemistry"].items(), key=lambda item: sum(item[1])/len(item[1]), reverse=True))
|
|
1373
|
+
results_container["compounds"] = dict(sorted(
|
|
1374
|
+
results_container["compounds"].items(), key=lambda item: sum(item[1])/len(item[1]), reverse=True))
|
|
1375
|
+
|
|
1376
|
+
results_container["phi"].append(phi_helper)
|
|
1377
|
+
results_container["rho_s"].append(rho_s)
|
|
1378
|
+
results_container["rho"].append(rho)
|
|
1379
|
+
results_container["vP"].append(vP)
|
|
1380
|
+
results_container["vS"].append(vS)
|
|
1381
|
+
results_container["vP/vS"].append(vPvS)
|
|
1382
|
+
results_container["K"].append(bulk_mod)
|
|
1383
|
+
results_container["G"].append(shear_mod)
|
|
1384
|
+
results_container["E"].append(youngs_mod)
|
|
1385
|
+
results_container["nu"].append(poisson_rat)
|
|
1386
|
+
results_container["GR"].append(gamma_ray)
|
|
1387
|
+
results_container["PE"].append(photoelectricity)
|
|
1388
|
+
|
|
1389
|
+
n += 1
|
|
1390
|
+
|
|
1391
|
+
return results_container
|
|
1392
|
+
|
|
1393
|
+
def create_greenschist_ultramafic_alt(self, number=1, composition=None):
|
|
1394
|
+
results_container = {}
|
|
1395
|
+
results_container["rock"] = "Greenschist"
|
|
1396
|
+
results_container["mineralogy"] = {}
|
|
1397
|
+
results_container["chemistry"] = {}
|
|
1398
|
+
results_container["compounds"] = {}
|
|
1399
|
+
results_container["phi"] = []
|
|
1400
|
+
results_container["fluid"] = self.fluid
|
|
1401
|
+
results_container["rho_s"] = []
|
|
1402
|
+
results_container["rho"] = []
|
|
1403
|
+
results_container["vP"] = []
|
|
1404
|
+
results_container["vS"] = []
|
|
1405
|
+
results_container["vP/vS"] = []
|
|
1406
|
+
results_container["K"] = []
|
|
1407
|
+
results_container["G"] = []
|
|
1408
|
+
results_container["E"] = []
|
|
1409
|
+
results_container["nu"] = []
|
|
1410
|
+
results_container["GR"] = []
|
|
1411
|
+
results_container["PE"] = []
|
|
1412
|
+
|
|
1413
|
+
n = 0
|
|
1414
|
+
while n < number:
|
|
1415
|
+
data_chlorite = Phyllosilicates(impurity="pure", data_type=True).create_chlorite()
|
|
1416
|
+
data_apatite = Phosphates(data_type=True).create_aptite()
|
|
1417
|
+
|
|
1418
|
+
mineralogy = {"Chl": data_chlorite, "Ctl": self.data_chrysotile, "Tlc": self.data_talc,
|
|
1419
|
+
"Tr": self.data_tremolite, "Di": self.data_diopside, "Bru": self.data_brucite,
|
|
1420
|
+
"Ap": data_apatite}
|
|
1421
|
+
|
|
1422
|
+
minerals_list = list(mineralogy.keys())
|
|
1423
|
+
|
|
1424
|
+
if minerals_list[0] not in results_container["mineralogy"]:
|
|
1425
|
+
for mineral in minerals_list:
|
|
1426
|
+
results_container["mineralogy"][mineral] = []
|
|
1427
|
+
|
|
1428
|
+
if self.porosity == None:
|
|
1429
|
+
phi_helper = round(rd.uniform(0.0, 0.1), 4)
|
|
1430
|
+
else:
|
|
1431
|
+
phi_helper = round(rd.uniform(self.porosity[0], self.porosity[1]), 4)
|
|
1432
|
+
|
|
1433
|
+
condition = False
|
|
1434
|
+
|
|
1435
|
+
while condition == False:
|
|
1436
|
+
elements_list = []
|
|
1437
|
+
phi_minerals = {}
|
|
1438
|
+
w_minerals = {}
|
|
1439
|
+
w_elements = {}
|
|
1440
|
+
|
|
1441
|
+
if composition != None:
|
|
1442
|
+
phi_chl = composition["Chl"]
|
|
1443
|
+
phi_ctl = composition["Ctl"]
|
|
1444
|
+
phi_tlc = composition["Tlc"]
|
|
1445
|
+
phi_tr = composition["Tr"]
|
|
1446
|
+
phi_di = composition["Di"]
|
|
1447
|
+
phi_bru = composition["Bru"]
|
|
1448
|
+
phi_ap = composition["Ap"]
|
|
1449
|
+
|
|
1450
|
+
phi_minerals["Chl"] = phi_chl
|
|
1451
|
+
phi_minerals["Ctl"] = phi_ctl
|
|
1452
|
+
phi_minerals["Tlc"] = phi_tlc
|
|
1453
|
+
phi_minerals["Tr"] = phi_tr
|
|
1454
|
+
phi_minerals["Di"] = phi_di
|
|
1455
|
+
phi_minerals["Bru"] = phi_bru
|
|
1456
|
+
phi_minerals["Ap"] = phi_ap
|
|
1457
|
+
else:
|
|
1458
|
+
condition_2 = False
|
|
1459
|
+
|
|
1460
|
+
while condition_2 == False:
|
|
1461
|
+
phi_chl = round(rd.uniform(0.25, 0.50), 4)
|
|
1462
|
+
phi_ctl = round(rd.uniform(0.25, (1.0 - phi_chl)), 4)
|
|
1463
|
+
phi_tlc = round(rd.uniform(0.15, (1.0 - phi_chl - phi_ctl)), 4)
|
|
1464
|
+
phi_tr = round(rd.uniform(0.1, (1.0 - phi_chl - phi_ctl - phi_tlc)), 4)
|
|
1465
|
+
phi_di = round(rd.uniform(0.0, (1.0 - phi_chl - phi_ctl - phi_tlc - phi_tr)), 4)
|
|
1466
|
+
phi_bru = round(rd.uniform(0.0, (1.0 - phi_chl - phi_ctl - phi_tlc - phi_tr - phi_di)), 4)
|
|
1467
|
+
phi_ap = round(1 - phi_chl - phi_ctl - phi_tlc - phi_tr - phi_di - phi_bru, 4)
|
|
1468
|
+
phi_total = phi_chl + phi_ctl + phi_tlc + phi_tr + phi_di + phi_bru + phi_ap
|
|
1469
|
+
|
|
1470
|
+
if np.isclose(phi_total, 1.0000) == True:
|
|
1471
|
+
if (0.25 <= phi_chl <= 0.5 and 0.25 <= phi_ctl <= 0.5 and 0.15 <= phi_tlc <= 0.2 \
|
|
1472
|
+
and 0.1 <= phi_tr <= 0.2 and 0.0 <= phi_di <= 0.05 and 0.0 <= phi_bru <= 0.05
|
|
1473
|
+
and 0.0 <= phi_ap <= 0.05):
|
|
1474
|
+
condition_2 = True
|
|
1475
|
+
|
|
1476
|
+
phi_minerals["Chl"] = phi_chl
|
|
1477
|
+
phi_minerals["Ctl"] = phi_ctl
|
|
1478
|
+
phi_minerals["Tlc"] = phi_tlc
|
|
1479
|
+
phi_minerals["Tr"] = phi_tr
|
|
1480
|
+
phi_minerals["Di"] = phi_di
|
|
1481
|
+
phi_minerals["Bru"] = phi_bru
|
|
1482
|
+
phi_minerals["Ap"] = phi_ap
|
|
1483
|
+
|
|
1484
|
+
rho_s = 0
|
|
1485
|
+
velocities_minerals = {}
|
|
1486
|
+
for key, value in phi_minerals.items():
|
|
1487
|
+
rho_s += phi_minerals[key]*mineralogy[key]["rho"]
|
|
1488
|
+
|
|
1489
|
+
velocities_minerals[key] = {}
|
|
1490
|
+
velocities_minerals[key]["vP"] = mineralogy[key]["vP"]
|
|
1491
|
+
velocities_minerals[key]["vS"] = mineralogy[key]["vS"]
|
|
1492
|
+
|
|
1493
|
+
for element, value in mineralogy[key]["chemistry"].items():
|
|
1494
|
+
if element not in elements_list:
|
|
1495
|
+
elements_list.append(element)
|
|
1496
|
+
w_elements[element] = 0.0
|
|
1497
|
+
|
|
1498
|
+
if elements_list[0] not in results_container["chemistry"]:
|
|
1499
|
+
for element in elements_list:
|
|
1500
|
+
results_container["chemistry"][element] = []
|
|
1501
|
+
|
|
1502
|
+
rho_s = round(rho_s, 3)
|
|
1503
|
+
|
|
1504
|
+
n_minerals = len(minerals_list)
|
|
1505
|
+
w_minerals_total = 0
|
|
1506
|
+
for index, (key, value) in enumerate(phi_minerals.items()):
|
|
1507
|
+
if key == "Urn":
|
|
1508
|
+
n_digits = 4
|
|
1509
|
+
else:
|
|
1510
|
+
n_digits = 4
|
|
1511
|
+
|
|
1512
|
+
if index < n_minerals - 1:
|
|
1513
|
+
result = round((phi_minerals[key]*mineralogy[key]["rho"])/rho_s, n_digits)
|
|
1514
|
+
w_minerals[key] = result
|
|
1515
|
+
w_minerals_total += result
|
|
1516
|
+
else:
|
|
1517
|
+
w_minerals[key] = round(1 - w_minerals_total, n_digits)
|
|
1518
|
+
|
|
1519
|
+
total_w_minerals = round(sum(w_minerals.values()), 4)
|
|
1520
|
+
|
|
1521
|
+
if self.fluid == "water":
|
|
1522
|
+
data_fluid = self.data_water
|
|
1523
|
+
|
|
1524
|
+
old_index = elements_list.index("O")
|
|
1525
|
+
elements_list += [elements_list.pop(old_index)]
|
|
1526
|
+
|
|
1527
|
+
w_elements_total = 0.0
|
|
1528
|
+
for element in elements_list:
|
|
1529
|
+
if element != "O":
|
|
1530
|
+
for mineral, w_mineral in w_minerals.items():
|
|
1531
|
+
if element in mineralogy[mineral]["chemistry"]:
|
|
1532
|
+
if element == "U":
|
|
1533
|
+
n_digits = 4
|
|
1534
|
+
else:
|
|
1535
|
+
n_digits = 4
|
|
1536
|
+
|
|
1537
|
+
value = round(w_mineral*mineralogy[mineral]["chemistry"][element], n_digits)
|
|
1538
|
+
w_elements[element] += value
|
|
1539
|
+
w_elements_total += value
|
|
1540
|
+
|
|
1541
|
+
w_elements[element] = round(w_elements[element], n_digits)
|
|
1542
|
+
|
|
1543
|
+
elif element == "O":
|
|
1544
|
+
w_elements[element] += round(1 - w_elements_total, 4)
|
|
1545
|
+
w_elements[element] = round(w_elements[element], 4)
|
|
1546
|
+
|
|
1547
|
+
total_w_elements = round(sum(w_elements.values()), 4)
|
|
1548
|
+
|
|
1549
|
+
if np.isclose(total_w_minerals, 1.00) == True and np.isclose(total_w_elements, 1.00) == True:
|
|
1550
|
+
for key, value in w_minerals.items():
|
|
1551
|
+
w_minerals[key] = abs(value)
|
|
1552
|
+
|
|
1553
|
+
for key, value in w_elements.items():
|
|
1554
|
+
w_elements[key] = abs(value)
|
|
1555
|
+
|
|
1556
|
+
condition = True
|
|
1557
|
+
|
|
1558
|
+
gamma_ray = 0.0
|
|
1559
|
+
photoelectricity = 0.0
|
|
1560
|
+
|
|
1561
|
+
K_list = []
|
|
1562
|
+
G_list = []
|
|
1563
|
+
bulk_mod = 0
|
|
1564
|
+
shear_mod = 0
|
|
1565
|
+
phi_list = []
|
|
1566
|
+
for key, value in phi_minerals.items():
|
|
1567
|
+
gamma_ray += phi_minerals[key]*mineralogy[key]["GR"]
|
|
1568
|
+
photoelectricity += phi_minerals[key]*mineralogy[key]["PE"]
|
|
1569
|
+
|
|
1570
|
+
gamma_ray = round(gamma_ray, 3)
|
|
1571
|
+
photoelectricity = round(photoelectricity, 3)
|
|
1572
|
+
|
|
1573
|
+
bulk_mod += phi_minerals[key]*mineralogy[key]["K"]
|
|
1574
|
+
shear_mod += phi_minerals[key]*mineralogy[key]["G"]
|
|
1575
|
+
K_list.append(round(phi_minerals[key]*mineralogy[key]["K"], 3))
|
|
1576
|
+
G_list.append(round(phi_minerals[key]*mineralogy[key]["G"], 3))
|
|
1577
|
+
phi_list.append(phi_minerals[key])
|
|
1578
|
+
|
|
1579
|
+
rho = round((1 - phi_helper)*rho_s + phi_helper*data_fluid[2]/1000, 3)
|
|
1580
|
+
bulk_mod = round(bulk_mod, 3)
|
|
1581
|
+
shear_mod = round(shear_mod, 3)
|
|
1582
|
+
youngs_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 3)
|
|
1583
|
+
poisson_rat = round((3*bulk_mod - 2*shear_mod)/(6*bulk_mod + 2*shear_mod), 4)
|
|
1584
|
+
vP = round(((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(rho))**0.5, 3)
|
|
1585
|
+
vS = round(((shear_mod*10**9)/(rho))**0.5, 3)
|
|
1586
|
+
vPvS = round(vP/vS, 3)
|
|
1587
|
+
|
|
1588
|
+
## RESULTS
|
|
1589
|
+
for key, value in w_minerals.items():
|
|
1590
|
+
results_container["mineralogy"][key].append(value)
|
|
1591
|
+
|
|
1592
|
+
amounts = []
|
|
1593
|
+
for key, value in w_elements.items():
|
|
1594
|
+
results_container["chemistry"][key].append(value)
|
|
1595
|
+
chem_data = PeriodicSystem(name=key).get_data()
|
|
1596
|
+
amounts.append([key, chem_data[1], value])
|
|
1597
|
+
|
|
1598
|
+
list_elements = list(w_elements.keys())
|
|
1599
|
+
list_oxides = OxideCompounds(var_list_elements=list_elements).find_oxides()
|
|
1600
|
+
composition_oxides = {}
|
|
1601
|
+
|
|
1602
|
+
for var_oxide in list_oxides:
|
|
1603
|
+
oxide_data = OxideCompounds(var_compound=var_oxide, var_amounts=amounts).get_composition()
|
|
1604
|
+
composition_oxides[var_oxide] = round(oxide_data["Oxide"][1], 4)
|
|
1605
|
+
|
|
1606
|
+
if list_oxides[0] not in results_container["compounds"]:
|
|
1607
|
+
for oxide in list_oxides:
|
|
1608
|
+
results_container["compounds"][oxide] = []
|
|
1609
|
+
|
|
1610
|
+
for key, value in composition_oxides.items():
|
|
1611
|
+
results_container["compounds"][key].append(value)
|
|
1612
|
+
|
|
1613
|
+
results_container["mineralogy"] = dict(sorted(
|
|
1614
|
+
results_container["mineralogy"].items(), key=lambda item: sum(item[1])/len(item[1]), reverse=True))
|
|
1615
|
+
results_container["chemistry"] = dict(sorted(
|
|
1616
|
+
results_container["chemistry"].items(), key=lambda item: sum(item[1])/len(item[1]), reverse=True))
|
|
1617
|
+
results_container["compounds"] = dict(sorted(
|
|
1618
|
+
results_container["compounds"].items(), key=lambda item: sum(item[1])/len(item[1]), reverse=True))
|
|
1619
|
+
|
|
1620
|
+
results_container["phi"].append(phi_helper)
|
|
1621
|
+
results_container["rho_s"].append(rho_s)
|
|
1622
|
+
results_container["rho"].append(rho)
|
|
1623
|
+
results_container["vP"].append(vP)
|
|
1624
|
+
results_container["vS"].append(vS)
|
|
1625
|
+
results_container["vP/vS"].append(vPvS)
|
|
1626
|
+
results_container["K"].append(bulk_mod)
|
|
1627
|
+
results_container["G"].append(shear_mod)
|
|
1628
|
+
results_container["E"].append(youngs_mod)
|
|
1629
|
+
results_container["nu"].append(poisson_rat)
|
|
1630
|
+
results_container["GR"].append(gamma_ray)
|
|
1631
|
+
results_container["PE"].append(photoelectricity)
|
|
1632
|
+
|
|
1633
|
+
n += 1
|
|
1634
|
+
|
|
1635
|
+
return results_container
|
|
1636
|
+
|
|
1637
|
+
def create_greenschist_pelitic_alt(self, number=1, composition=None):
|
|
1638
|
+
results_container = {}
|
|
1639
|
+
results_container["rock"] = "Greenschist"
|
|
1640
|
+
results_container["mineralogy"] = {}
|
|
1641
|
+
results_container["chemistry"] = {}
|
|
1642
|
+
results_container["compounds"] = {}
|
|
1643
|
+
results_container["phi"] = []
|
|
1644
|
+
results_container["fluid"] = self.fluid
|
|
1645
|
+
results_container["rho_s"] = []
|
|
1646
|
+
results_container["rho"] = []
|
|
1647
|
+
results_container["vP"] = []
|
|
1648
|
+
results_container["vS"] = []
|
|
1649
|
+
results_container["vP/vS"] = []
|
|
1650
|
+
results_container["K"] = []
|
|
1651
|
+
results_container["G"] = []
|
|
1652
|
+
results_container["E"] = []
|
|
1653
|
+
results_container["nu"] = []
|
|
1654
|
+
results_container["GR"] = []
|
|
1655
|
+
results_container["PE"] = []
|
|
1656
|
+
|
|
1657
|
+
n = 0
|
|
1658
|
+
while n < number:
|
|
1659
|
+
data_alkalifeldspar = Tectosilicates(impurity="pure", data_type=True).create_alkalifeldspar()
|
|
1660
|
+
data_plagioclase = Tectosilicates(impurity="pure", data_type=True).create_plagioclase()
|
|
1661
|
+
data_chlorite = Phyllosilicates(impurity="pure", data_type=True).create_chlorite()
|
|
1662
|
+
data_muscovite = Phyllosilicates(impurity="pure", data_type=True).create_muscovite()
|
|
1663
|
+
data_garnet_al = Nesosilicates(impurity="pure", data_type=True).create_aluminium_garnet()
|
|
1664
|
+
data_apatite = Phosphates(data_type=True).create_aptite()
|
|
1665
|
+
|
|
1666
|
+
mineralogy = {"Qz": self.data_quartz, "Kfs": data_alkalifeldspar, "Pl": data_plagioclase,
|
|
1667
|
+
"Chl": data_chlorite, "Ms": data_muscovite, "Grt": data_garnet_al,
|
|
1668
|
+
"Prl": self.data_pyrophyllite, "Ap": data_apatite}
|
|
1669
|
+
|
|
1670
|
+
minerals_list = list(mineralogy.keys())
|
|
1671
|
+
|
|
1672
|
+
if minerals_list[0] not in results_container["mineralogy"]:
|
|
1673
|
+
for mineral in minerals_list:
|
|
1674
|
+
results_container["mineralogy"][mineral] = []
|
|
1675
|
+
|
|
1676
|
+
if self.porosity == None:
|
|
1677
|
+
phi_helper = round(rd.uniform(0.0, 0.1), 4)
|
|
1678
|
+
else:
|
|
1679
|
+
phi_helper = round(rd.uniform(self.porosity[0], self.porosity[1]), 4)
|
|
1680
|
+
|
|
1681
|
+
condition = False
|
|
1682
|
+
|
|
1683
|
+
while condition == False:
|
|
1684
|
+
elements_list = []
|
|
1685
|
+
phi_minerals = {}
|
|
1686
|
+
w_minerals = {}
|
|
1687
|
+
w_elements = {}
|
|
1688
|
+
|
|
1689
|
+
if composition != None:
|
|
1690
|
+
phi_qz = composition["Qz"]
|
|
1691
|
+
phi_kfs = composition["Kfs"]
|
|
1692
|
+
phi_pl = composition["Pl"]
|
|
1693
|
+
phi_chl = composition["Chl"]
|
|
1694
|
+
phi_ms = composition["Ms"]
|
|
1695
|
+
phi_grt = composition["Grt"]
|
|
1696
|
+
phi_prl = composition["Prl"]
|
|
1697
|
+
phi_ap = composition["Ap"]
|
|
1698
|
+
|
|
1699
|
+
phi_minerals["Qz"] = phi_qz
|
|
1700
|
+
phi_minerals["Kfs"] = phi_kfs
|
|
1701
|
+
phi_minerals["Pl"] = phi_pl
|
|
1702
|
+
phi_minerals["Chl"] = phi_chl
|
|
1703
|
+
phi_minerals["Ms"] = phi_ms
|
|
1704
|
+
phi_minerals["Grt"] = phi_grt
|
|
1705
|
+
phi_minerals["Prl"] = phi_prl
|
|
1706
|
+
phi_minerals["Ap"] = phi_ap
|
|
1707
|
+
else:
|
|
1708
|
+
condition_2 = False
|
|
1709
|
+
|
|
1710
|
+
while condition_2 == False:
|
|
1711
|
+
phi_qz = round(rd.uniform(0.25, 0.7), 4)
|
|
1712
|
+
phi_chl = round(rd.uniform(0.15, (1.0 - phi_qz)), 4)
|
|
1713
|
+
phi_kfs = round(rd.uniform(0.05, (1.0 - phi_qz - phi_chl)), 4)
|
|
1714
|
+
phi_pl = round(rd.uniform(0.05, (1.0 - phi_qz - phi_chl - phi_kfs)), 4)
|
|
1715
|
+
phi_ms = round(rd.uniform(0.0, (1.0 - phi_qz - phi_chl - phi_kfs - phi_pl)), 4)
|
|
1716
|
+
phi_grt = round(rd.uniform(0.0, (1.0 - phi_qz - phi_chl - phi_kfs - phi_pl - phi_ms)), 4)
|
|
1717
|
+
phi_prl = round(rd.uniform(
|
|
1718
|
+
0.0, (1.0 - phi_qz - phi_chl - phi_kfs - phi_pl - phi_ms - phi_grt)), 4)
|
|
1719
|
+
phi_ap = round(1 - phi_qz - phi_chl - phi_kfs - phi_pl - phi_ms - phi_grt - phi_prl, 4)
|
|
1720
|
+
phi_total = phi_qz + phi_chl + phi_kfs + phi_pl + phi_ms + phi_grt + phi_prl + phi_ap
|
|
1721
|
+
|
|
1722
|
+
if np.isclose(phi_total, 1.0000) == True:
|
|
1723
|
+
if 0.25 <= phi_qz <= 0.7 and 0.15 <= phi_chl <= 0.3 and 0.05 <= phi_kfs <= 0.15 \
|
|
1724
|
+
and 0.05 <= phi_pl <= 0.15 and 0.0 <= phi_ms <= 0.1 and 0.0 <= phi_grt <= 0.05 \
|
|
1725
|
+
and 0.0 <= phi_prl <= 0.05 and 0.0 <= phi_ap <= 0.05:
|
|
1726
|
+
condition_2 = True
|
|
1727
|
+
|
|
1728
|
+
phi_minerals["Qz"] = phi_qz
|
|
1729
|
+
phi_minerals["Kfs"] = phi_kfs
|
|
1730
|
+
phi_minerals["Pl"] = phi_pl
|
|
1731
|
+
phi_minerals["Chl"] = phi_chl
|
|
1732
|
+
phi_minerals["Ms"] = phi_ms
|
|
1733
|
+
phi_minerals["Grt"] = phi_grt
|
|
1734
|
+
phi_minerals["Prl"] = phi_prl
|
|
1735
|
+
phi_minerals["Ap"] = phi_ap
|
|
1736
|
+
|
|
1737
|
+
rho_s = 0
|
|
1738
|
+
velocities_minerals = {}
|
|
1739
|
+
for key, value in phi_minerals.items():
|
|
1740
|
+
rho_s += phi_minerals[key]*mineralogy[key]["rho"]
|
|
1741
|
+
|
|
1742
|
+
velocities_minerals[key] = {}
|
|
1743
|
+
velocities_minerals[key]["vP"] = mineralogy[key]["vP"]
|
|
1744
|
+
velocities_minerals[key]["vS"] = mineralogy[key]["vS"]
|
|
1745
|
+
|
|
1746
|
+
for element, value in mineralogy[key]["chemistry"].items():
|
|
1747
|
+
if element not in elements_list:
|
|
1748
|
+
elements_list.append(element)
|
|
1749
|
+
w_elements[element] = 0.0
|
|
1750
|
+
|
|
1751
|
+
if elements_list[0] not in results_container["chemistry"]:
|
|
1752
|
+
for element in elements_list:
|
|
1753
|
+
results_container["chemistry"][element] = []
|
|
1754
|
+
|
|
1755
|
+
rho_s = round(rho_s, 3)
|
|
1756
|
+
|
|
1757
|
+
n_minerals = len(minerals_list)
|
|
1758
|
+
w_minerals_total = 0
|
|
1759
|
+
for index, (key, value) in enumerate(phi_minerals.items()):
|
|
1760
|
+
if key == "Urn":
|
|
1761
|
+
n_digits = 4
|
|
1762
|
+
else:
|
|
1763
|
+
n_digits = 4
|
|
1764
|
+
|
|
1765
|
+
if index < n_minerals - 1:
|
|
1766
|
+
result = round((phi_minerals[key]*mineralogy[key]["rho"])/rho_s, n_digits)
|
|
1767
|
+
w_minerals[key] = result
|
|
1768
|
+
w_minerals_total += result
|
|
1769
|
+
else:
|
|
1770
|
+
w_minerals[key] = round(1 - w_minerals_total, n_digits)
|
|
1771
|
+
|
|
1772
|
+
total_w_minerals = round(sum(w_minerals.values()), 4)
|
|
1773
|
+
|
|
1774
|
+
if self.fluid == "water":
|
|
1775
|
+
data_fluid = self.data_water
|
|
1776
|
+
|
|
1777
|
+
old_index = elements_list.index("O")
|
|
1778
|
+
elements_list += [elements_list.pop(old_index)]
|
|
1779
|
+
|
|
1780
|
+
w_elements_total = 0.0
|
|
1781
|
+
for element in elements_list:
|
|
1782
|
+
if element != "O":
|
|
1783
|
+
for mineral, w_mineral in w_minerals.items():
|
|
1784
|
+
if element in mineralogy[mineral]["chemistry"]:
|
|
1785
|
+
if element == "U":
|
|
1786
|
+
n_digits = 4
|
|
1787
|
+
else:
|
|
1788
|
+
n_digits = 4
|
|
1789
|
+
|
|
1790
|
+
value = round(w_mineral*mineralogy[mineral]["chemistry"][element], n_digits)
|
|
1791
|
+
w_elements[element] += value
|
|
1792
|
+
w_elements_total += value
|
|
1793
|
+
|
|
1794
|
+
w_elements[element] = round(w_elements[element], n_digits)
|
|
1795
|
+
|
|
1796
|
+
elif element == "O":
|
|
1797
|
+
w_elements[element] += round(1 - w_elements_total, 4)
|
|
1798
|
+
w_elements[element] = round(w_elements[element], 4)
|
|
1799
|
+
|
|
1800
|
+
total_w_elements = round(sum(w_elements.values()), 4)
|
|
1801
|
+
|
|
1802
|
+
if np.isclose(total_w_minerals, 1.00) == True and np.isclose(total_w_elements, 1.00) == True:
|
|
1803
|
+
for key, value in w_minerals.items():
|
|
1804
|
+
w_minerals[key] = abs(value)
|
|
1805
|
+
|
|
1806
|
+
for key, value in w_elements.items():
|
|
1807
|
+
w_elements[key] = abs(value)
|
|
1808
|
+
|
|
1809
|
+
condition = True
|
|
1810
|
+
|
|
1811
|
+
gamma_ray = 0.0
|
|
1812
|
+
photoelectricity = 0.0
|
|
1813
|
+
|
|
1814
|
+
K_list = []
|
|
1815
|
+
G_list = []
|
|
1816
|
+
bulk_mod = 0
|
|
1817
|
+
shear_mod = 0
|
|
1818
|
+
phi_list = []
|
|
1819
|
+
for key, value in phi_minerals.items():
|
|
1820
|
+
gamma_ray += phi_minerals[key]*mineralogy[key]["GR"]
|
|
1821
|
+
photoelectricity += phi_minerals[key]*mineralogy[key]["PE"]
|
|
1822
|
+
|
|
1823
|
+
gamma_ray = round(gamma_ray, 3)
|
|
1824
|
+
photoelectricity = round(photoelectricity, 3)
|
|
1825
|
+
|
|
1826
|
+
bulk_mod += phi_minerals[key]*mineralogy[key]["K"]
|
|
1827
|
+
shear_mod += phi_minerals[key]*mineralogy[key]["G"]
|
|
1828
|
+
K_list.append(round(phi_minerals[key]*mineralogy[key]["K"], 3))
|
|
1829
|
+
G_list.append(round(phi_minerals[key]*mineralogy[key]["G"], 3))
|
|
1830
|
+
phi_list.append(phi_minerals[key])
|
|
1831
|
+
|
|
1832
|
+
rho = round((1 - phi_helper)*rho_s + phi_helper*data_fluid[2]/1000, 3)
|
|
1833
|
+
bulk_mod = round(bulk_mod, 3)
|
|
1834
|
+
shear_mod = round(shear_mod, 3)
|
|
1835
|
+
youngs_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 3)
|
|
1836
|
+
poisson_rat = round((3*bulk_mod - 2*shear_mod)/(6*bulk_mod + 2*shear_mod), 4)
|
|
1837
|
+
vP = round(((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(rho))**0.5, 3)
|
|
1838
|
+
vS = round(((shear_mod*10**9)/(rho))**0.5, 3)
|
|
1839
|
+
vPvS = round(vP/vS, 3)
|
|
1840
|
+
|
|
1841
|
+
## RESULTS
|
|
1842
|
+
for key, value in w_minerals.items():
|
|
1843
|
+
results_container["mineralogy"][key].append(value)
|
|
1844
|
+
|
|
1845
|
+
amounts = []
|
|
1846
|
+
for key, value in w_elements.items():
|
|
1847
|
+
results_container["chemistry"][key].append(value)
|
|
1848
|
+
chem_data = PeriodicSystem(name=key).get_data()
|
|
1849
|
+
amounts.append([key, chem_data[1], value])
|
|
1850
|
+
|
|
1851
|
+
list_elements = list(w_elements.keys())
|
|
1852
|
+
list_oxides = OxideCompounds(var_list_elements=list_elements).find_oxides()
|
|
1853
|
+
composition_oxides = {}
|
|
1854
|
+
|
|
1855
|
+
for var_oxide in list_oxides:
|
|
1856
|
+
oxide_data = OxideCompounds(var_compound=var_oxide, var_amounts=amounts).get_composition()
|
|
1857
|
+
composition_oxides[var_oxide] = round(oxide_data["Oxide"][1], 4)
|
|
1858
|
+
|
|
1859
|
+
if list_oxides[0] not in results_container["compounds"]:
|
|
1860
|
+
for oxide in list_oxides:
|
|
1861
|
+
results_container["compounds"][oxide] = []
|
|
1862
|
+
|
|
1863
|
+
for key, value in composition_oxides.items():
|
|
1864
|
+
results_container["compounds"][key].append(value)
|
|
1865
|
+
|
|
1866
|
+
results_container["mineralogy"] = dict(sorted(
|
|
1867
|
+
results_container["mineralogy"].items(), key=lambda item: sum(item[1])/len(item[1]), reverse=True))
|
|
1868
|
+
results_container["chemistry"] = dict(sorted(
|
|
1869
|
+
results_container["chemistry"].items(), key=lambda item: sum(item[1])/len(item[1]), reverse=True))
|
|
1870
|
+
results_container["compounds"] = dict(sorted(
|
|
1871
|
+
results_container["compounds"].items(), key=lambda item: sum(item[1])/len(item[1]), reverse=True))
|
|
1872
|
+
|
|
1873
|
+
results_container["phi"].append(phi_helper)
|
|
1874
|
+
results_container["rho_s"].append(rho_s)
|
|
1875
|
+
results_container["rho"].append(rho)
|
|
1876
|
+
results_container["vP"].append(vP)
|
|
1877
|
+
results_container["vS"].append(vS)
|
|
1878
|
+
results_container["vP/vS"].append(vPvS)
|
|
1879
|
+
results_container["K"].append(bulk_mod)
|
|
1880
|
+
results_container["G"].append(shear_mod)
|
|
1881
|
+
results_container["E"].append(youngs_mod)
|
|
1882
|
+
results_container["nu"].append(poisson_rat)
|
|
1883
|
+
results_container["GR"].append(gamma_ray)
|
|
1884
|
+
results_container["PE"].append(photoelectricity)
|
|
1885
|
+
|
|
1886
|
+
n += 1
|
|
1887
|
+
|
|
1888
|
+
return results_container
|
|
1889
|
+
|
|
1890
|
+
def create_greenschist(self, number, porosity=None):
|
|
1891
|
+
#
|
|
1892
|
+
self.data_plagioclase = Tectosilicates(impurity="pure", data_type=True).create_plagioclase()
|
|
1893
|
+
self.data_quartz = Oxides(impurity="pure", data_type=True).create_quartz()
|
|
1894
|
+
self.data_epidote = Sorosilicates(impurity="pure", data_type=True).create_epidote()
|
|
1895
|
+
self.data_chlorite = Phyllosilicates(impurity="pure", data_type=True).create_chlorite()
|
|
1896
|
+
self.data_muscovite = Phyllosilicates(impurity="pure", data_type=True).create_muscovite()
|
|
1897
|
+
self.data_antigorite = Phyllosilicates(impurity="pure", data_type=True).create_antigorite()
|
|
1898
|
+
#
|
|
1899
|
+
assemblage = [self.data_quartz, self.data_plagioclase, self.data_chlorite, self.data_antigorite,
|
|
1900
|
+
self.data_epidote, self.data_muscovite]
|
|
1901
|
+
#
|
|
1902
|
+
amounts_mineralogy = {}
|
|
1903
|
+
amounts_chemistry = {}
|
|
1904
|
+
bulk_properties = {}
|
|
1905
|
+
properties = ["rho_s", "rho", "K", "G", "E", "nu", "vP", "vS", "vPvS", "GR", "PE", "phi"]
|
|
1906
|
+
for property in properties:
|
|
1907
|
+
bulk_properties[property] = []
|
|
1908
|
+
mineral_list = []
|
|
1909
|
+
elements = []
|
|
1910
|
+
for mineral in assemblage:
|
|
1911
|
+
amounts_mineralogy[mineral["mineral"]] = []
|
|
1912
|
+
mineral_list.append(mineral["mineral"])
|
|
1913
|
+
elements_mineral = list(mineral["chemistry"].keys())
|
|
1914
|
+
for element in elements_mineral:
|
|
1915
|
+
if element not in elements:
|
|
1916
|
+
elements.append(element)
|
|
1917
|
+
amounts_chemistry[element] = []
|
|
1918
|
+
mineral_list.sort()
|
|
1919
|
+
elements.sort()
|
|
1920
|
+
#
|
|
1921
|
+
n = 0
|
|
1922
|
+
amounts_helper = []
|
|
1923
|
+
while n < number:
|
|
1924
|
+
w_total = 0
|
|
1925
|
+
n_minerals = 0
|
|
1926
|
+
for mineral in mineral_list:
|
|
1927
|
+
if mineral == "Qz":
|
|
1928
|
+
if n_minerals < len(mineral_list)-1:
|
|
1929
|
+
value = round(1-w_total, 4)
|
|
1930
|
+
else:
|
|
1931
|
+
value = round(1-w_total, 4)
|
|
1932
|
+
if value >= 0.0 and 0.05 <= value <= 0.25:
|
|
1933
|
+
amounts_helper.append(value)
|
|
1934
|
+
w_total += value
|
|
1935
|
+
n_minerals += 1
|
|
1936
|
+
elif mineral == "Pl":
|
|
1937
|
+
if n_minerals < len(mineral_list)-1:
|
|
1938
|
+
value = round(rd.uniform(0.20, 0.50), 4)
|
|
1939
|
+
else:
|
|
1940
|
+
value = round(1-w_total, 4)
|
|
1941
|
+
if value >= 0.0 and 0.20 <= value <= 0.50:
|
|
1942
|
+
amounts_helper.append(value)
|
|
1943
|
+
w_total += value
|
|
1944
|
+
n_minerals += 1
|
|
1945
|
+
elif mineral == "Chl":
|
|
1946
|
+
if n_minerals < len(mineral_list)-1:
|
|
1947
|
+
value = round(rd.uniform(0.15, 0.30), 4)
|
|
1948
|
+
else:
|
|
1949
|
+
value = round(1-w_total, 4)
|
|
1950
|
+
if value >= 0.0 and 0.10 <= value <= 0.25:
|
|
1951
|
+
amounts_helper.append(value)
|
|
1952
|
+
w_total += value
|
|
1953
|
+
n_minerals += 1
|
|
1954
|
+
elif mineral == "Ant":
|
|
1955
|
+
if n_minerals < len(mineral_list)-1:
|
|
1956
|
+
value = round(rd.uniform(0.05, 0.20), 4)
|
|
1957
|
+
else:
|
|
1958
|
+
value = round(1-w_total, 4)
|
|
1959
|
+
if value >= 0.0 and 0.05 <= value <= 0.20:
|
|
1960
|
+
amounts_helper.append(value)
|
|
1961
|
+
w_total += value
|
|
1962
|
+
n_minerals += 1
|
|
1963
|
+
elif mineral == "Ep":
|
|
1964
|
+
if n_minerals < len(mineral_list)-1:
|
|
1965
|
+
value = round(rd.uniform(0.05, 0.20), 4)
|
|
1966
|
+
else:
|
|
1967
|
+
value = round(1-w_total, 4)
|
|
1968
|
+
if value >= 0.0 and 0.05 <= value <= 0.20:
|
|
1969
|
+
amounts_helper.append(value)
|
|
1970
|
+
w_total += value
|
|
1971
|
+
n_minerals += 1
|
|
1972
|
+
elif mineral == "Ms":
|
|
1973
|
+
if n_minerals < len(mineral_list)-1:
|
|
1974
|
+
value = round(rd.uniform(0.0, 0.05), 4)
|
|
1975
|
+
else:
|
|
1976
|
+
value = round(1-w_total, 4)
|
|
1977
|
+
if value >= 0.0 and 0.0 <= value <= 0.05:
|
|
1978
|
+
amounts_helper.append(value)
|
|
1979
|
+
w_total += value
|
|
1980
|
+
n_minerals += 1
|
|
1981
|
+
#
|
|
1982
|
+
if np.sum(amounts_helper) == 1.0 and n_minerals == len(mineral_list):
|
|
1983
|
+
for index, mineral in enumerate(mineral_list):
|
|
1984
|
+
amounts_mineralogy[mineral].append(amounts_helper[index])
|
|
1985
|
+
n += 1
|
|
1986
|
+
amounts_helper.clear()
|
|
1987
|
+
else:
|
|
1988
|
+
n += 0
|
|
1989
|
+
amounts_helper.clear()
|
|
1990
|
+
#
|
|
1991
|
+
n = 0
|
|
1992
|
+
amounts_helper = {}
|
|
1993
|
+
while n < number:
|
|
1994
|
+
w_total = 0
|
|
1995
|
+
n_elements = 0
|
|
1996
|
+
rho_s_helper = 0
|
|
1997
|
+
bulkmod_helper = 0
|
|
1998
|
+
shearmod_helper = 0
|
|
1999
|
+
gr_helper = 0
|
|
2000
|
+
pe_helper = 0
|
|
2001
|
+
if porosity == None:
|
|
2002
|
+
phi_helper = round(rd.uniform(0.0, 0.05), 4)
|
|
2003
|
+
else:
|
|
2004
|
+
phi_helper = porosity
|
|
2005
|
+
self.data_plagioclase = Tectosilicates(impurity="pure", data_type=True).create_plagioclase()
|
|
2006
|
+
self.data_chlorite = Phyllosilicates(impurity="pure", data_type=True).create_chlorite()
|
|
2007
|
+
self.data_muscovite = Phyllosilicates(impurity="pure", data_type=True).create_muscovite()
|
|
2008
|
+
for element in elements:
|
|
2009
|
+
amounts_helper[element] = 0
|
|
2010
|
+
if element in self.data_quartz["chemistry"]:
|
|
2011
|
+
if n_elements < len(elements)-1:
|
|
2012
|
+
value = round(amounts_mineralogy["Qz"][n]*self.data_quartz["chemistry"][element], 4)
|
|
2013
|
+
else:
|
|
2014
|
+
value = round(1-w_total, 4)
|
|
2015
|
+
amounts_helper[element] += value
|
|
2016
|
+
w_total += value
|
|
2017
|
+
if element in self.data_plagioclase["chemistry"]:
|
|
2018
|
+
if n_elements < len(elements)-1:
|
|
2019
|
+
value = round(amounts_mineralogy["Pl"][n]*self.data_plagioclase["chemistry"][element], 4)
|
|
2020
|
+
else:
|
|
2021
|
+
value = round(1-w_total, 4)
|
|
2022
|
+
amounts_helper[element] += value
|
|
2023
|
+
w_total += value
|
|
2024
|
+
if element in self.data_chlorite["chemistry"]:
|
|
2025
|
+
if n_elements < len(elements)-1:
|
|
2026
|
+
value = round(amounts_mineralogy["Chl"][n]*self.data_chlorite["chemistry"][element], 4)
|
|
2027
|
+
else:
|
|
2028
|
+
value = round(1-w_total, 4)
|
|
2029
|
+
amounts_helper[element] += value
|
|
2030
|
+
w_total += value
|
|
2031
|
+
if element in self.data_antigorite["chemistry"]:
|
|
2032
|
+
if n_elements < len(elements)-1:
|
|
2033
|
+
value = round(amounts_mineralogy["Ant"][n]*self.data_antigorite["chemistry"][element], 4)
|
|
2034
|
+
else:
|
|
2035
|
+
value = round(1-w_total, 4)
|
|
2036
|
+
amounts_helper[element] += value
|
|
2037
|
+
w_total += value
|
|
2038
|
+
if element in self.data_muscovite["chemistry"]:
|
|
2039
|
+
if n_elements < len(elements)-1:
|
|
2040
|
+
value = round(amounts_mineralogy["Ms"][n]*self.data_muscovite["chemistry"][element], 4)
|
|
2041
|
+
else:
|
|
2042
|
+
value = round(1-w_total, 4)
|
|
2043
|
+
amounts_helper[element] += value
|
|
2044
|
+
w_total += value
|
|
2045
|
+
if element in self.data_epidote["chemistry"]:
|
|
2046
|
+
if n_elements < len(elements)-1:
|
|
2047
|
+
value = round(amounts_mineralogy["Ep"][n]*self.data_epidote["chemistry"][element], 4)
|
|
2048
|
+
else:
|
|
2049
|
+
value = round(1-w_total, 4)
|
|
2050
|
+
amounts_helper[element] += value
|
|
2051
|
+
w_total += value
|
|
2052
|
+
n_elements += 1
|
|
2053
|
+
if sum(amounts_helper.values()) == 1.0:
|
|
2054
|
+
for key, value in amounts_helper.items():
|
|
2055
|
+
amounts_chemistry[key].append(round(value, 4))
|
|
2056
|
+
for mineral in mineral_list:
|
|
2057
|
+
if mineral == "Qz":
|
|
2058
|
+
rho_s_helper += round(amounts_mineralogy[mineral][n]*self.data_quartz["rho"], 3)
|
|
2059
|
+
bulkmod_helper += round(amounts_mineralogy[mineral][n]*self.data_quartz["K"], 3)
|
|
2060
|
+
shearmod_helper += round(0.67*amounts_mineralogy[mineral][n]*self.data_quartz["G"], 3)
|
|
2061
|
+
gr_helper += round(amounts_mineralogy[mineral][n]*self.data_quartz["GR"], 3)
|
|
2062
|
+
pe_helper += round(amounts_mineralogy[mineral][n]*self.data_quartz["PE"], 3)
|
|
2063
|
+
elif mineral == "Pl":
|
|
2064
|
+
rho_s_helper += round(amounts_mineralogy[mineral][n]*self.data_plagioclase["rho"], 3)
|
|
2065
|
+
bulkmod_helper += round(amounts_mineralogy[mineral][n]*self.data_plagioclase["K"], 3)
|
|
2066
|
+
shearmod_helper += round(0.67*amounts_mineralogy[mineral][n]*self.data_plagioclase["G"], 3)
|
|
2067
|
+
gr_helper += round(amounts_mineralogy[mineral][n]*self.data_plagioclase["GR"], 3)
|
|
2068
|
+
pe_helper += round(amounts_mineralogy[mineral][n]*self.data_plagioclase["PE"], 3)
|
|
2069
|
+
elif mineral == "Chl":
|
|
2070
|
+
rho_s_helper += round(amounts_mineralogy[mineral][n]*self.data_chlorite["rho"], 3)
|
|
2071
|
+
bulkmod_helper += round(amounts_mineralogy[mineral][n]*self.data_chlorite["K"], 3)
|
|
2072
|
+
shearmod_helper += round(0.67*amounts_mineralogy[mineral][n]*self.data_chlorite["G"], 3)
|
|
2073
|
+
gr_helper += round(amounts_mineralogy[mineral][n]*self.data_chlorite["GR"], 3)
|
|
2074
|
+
pe_helper += round(amounts_mineralogy[mineral][n]*self.data_chlorite["PE"], 3)
|
|
2075
|
+
elif mineral == "Ant":
|
|
2076
|
+
rho_s_helper += round(amounts_mineralogy[mineral][n]*self.data_antigorite["rho"], 3)
|
|
2077
|
+
bulkmod_helper += round(amounts_mineralogy[mineral][n]*self.data_antigorite["K"], 3)
|
|
2078
|
+
shearmod_helper += round(0.67*amounts_mineralogy[mineral][n]*self.data_antigorite["G"], 3)
|
|
2079
|
+
gr_helper += round(amounts_mineralogy[mineral][n]*self.data_antigorite["GR"], 3)
|
|
2080
|
+
pe_helper += round(amounts_mineralogy[mineral][n]*self.data_antigorite["PE"], 3)
|
|
2081
|
+
elif mineral == "Ep":
|
|
2082
|
+
rho_s_helper += round(amounts_mineralogy[mineral][n]*self.data_epidote["rho"], 3)
|
|
2083
|
+
bulkmod_helper += round(amounts_mineralogy[mineral][n]*self.data_epidote["K"], 3)
|
|
2084
|
+
shearmod_helper += round(0.67*amounts_mineralogy[mineral][n]*self.data_epidote["G"], 3)
|
|
2085
|
+
gr_helper += round(amounts_mineralogy[mineral][n]*self.data_epidote["GR"], 3)
|
|
2086
|
+
pe_helper += round(amounts_mineralogy[mineral][n]*self.data_epidote["PE"], 3)
|
|
2087
|
+
elif mineral == "Ms":
|
|
2088
|
+
rho_s_helper += round(amounts_mineralogy[mineral][n]*self.data_muscovite["rho"], 3)
|
|
2089
|
+
bulkmod_helper += round(amounts_mineralogy[mineral][n]*self.data_muscovite["K"], 3)
|
|
2090
|
+
shearmod_helper += round(0.67*amounts_mineralogy[mineral][n]*self.data_muscovite["G"], 3)
|
|
2091
|
+
gr_helper += round(amounts_mineralogy[mineral][n]*self.data_muscovite["GR"], 3)
|
|
2092
|
+
pe_helper += round(amounts_mineralogy[mineral][n]*self.data_muscovite["PE"], 3)
|
|
2093
|
+
#
|
|
2094
|
+
rho_helper = round((1-phi_helper)*rho_s_helper + phi_helper*self.data_water[2]/1000, 3)
|
|
2095
|
+
youngsmod_helper = round((9*bulkmod_helper*shearmod_helper)/(3*bulkmod_helper + shearmod_helper), 3)
|
|
2096
|
+
poisson_helper = round((3*bulkmod_helper - 2*shearmod_helper)/(6*bulkmod_helper + 2*shearmod_helper), 3)
|
|
2097
|
+
vP_helper = round(((bulkmod_helper*10**9 + 4/3*shearmod_helper*10**9)/(rho_helper))**0.5, 3)
|
|
2098
|
+
vS_helper = round(((shearmod_helper*10**9)/(rho_helper))**0.5, 3)
|
|
2099
|
+
vPvS_helper_helper = round(vP_helper/vS_helper, 3)
|
|
2100
|
+
#
|
|
2101
|
+
bulk_properties["rho_s"].append(round(rho_s_helper, 3))
|
|
2102
|
+
bulk_properties["rho"].append(rho_helper)
|
|
2103
|
+
bulk_properties["K"].append(round(bulkmod_helper, 3))
|
|
2104
|
+
bulk_properties["G"].append(round(shearmod_helper, 3))
|
|
2105
|
+
bulk_properties["E"].append(youngsmod_helper)
|
|
2106
|
+
bulk_properties["nu"].append(poisson_helper)
|
|
2107
|
+
bulk_properties["vP"].append(vP_helper)
|
|
2108
|
+
bulk_properties["vS"].append(vS_helper)
|
|
2109
|
+
bulk_properties["vPvS"].append(vPvS_helper_helper)
|
|
2110
|
+
bulk_properties["GR"].append(round(gr_helper, 3))
|
|
2111
|
+
bulk_properties["PE"].append(round(pe_helper, 3))
|
|
2112
|
+
bulk_properties["phi"].append(round(phi_helper, 3))
|
|
2113
|
+
n += 1
|
|
2114
|
+
#
|
|
2115
|
+
results = {}
|
|
2116
|
+
results["rock"] = "Greenschist"
|
|
2117
|
+
if number > 1:
|
|
2118
|
+
results["mineralogy"] = amounts_mineralogy
|
|
2119
|
+
results["chemistry"] = amounts_chemistry
|
|
2120
|
+
results["phi"] = bulk_properties["phi"]
|
|
2121
|
+
results["fluid"] = "water"
|
|
2122
|
+
results["rho_s"] = bulk_properties["rho_s"]
|
|
2123
|
+
results["rho"] = bulk_properties["rho"]
|
|
2124
|
+
results["vP"] = bulk_properties["vP"]
|
|
2125
|
+
results["vS"] = bulk_properties["vS"]
|
|
2126
|
+
results["vP/vS"] = bulk_properties["vPvS"]
|
|
2127
|
+
results["K"] = bulk_properties["K"]
|
|
2128
|
+
results["G"] = bulk_properties["G"]
|
|
2129
|
+
results["E"] = bulk_properties["E"]
|
|
2130
|
+
results["nu"] = bulk_properties["nu"]
|
|
2131
|
+
results["GR"] = bulk_properties["GR"]
|
|
2132
|
+
results["PE"] = bulk_properties["PE"]
|
|
2133
|
+
else:
|
|
2134
|
+
single_amounts_mineralogy = {}
|
|
2135
|
+
single_amounts_chemistry = {}
|
|
2136
|
+
for mineral, value in amounts_mineralogy.items():
|
|
2137
|
+
single_amounts_mineralogy[mineral] = value[0]
|
|
2138
|
+
for element, value in amounts_chemistry.items():
|
|
2139
|
+
single_amounts_chemistry[element] = value[0]
|
|
2140
|
+
results["mineralogy"] = single_amounts_mineralogy
|
|
2141
|
+
results["chemistry"] = single_amounts_chemistry
|
|
2142
|
+
results["phi"] = bulk_properties["phi"][0]
|
|
2143
|
+
results["fluid"] = "water"
|
|
2144
|
+
results["rho_s"] = bulk_properties["rho_s"][0]
|
|
2145
|
+
results["rho"] = bulk_properties["rho"][0]
|
|
2146
|
+
results["vP"] = bulk_properties["vP"][0]
|
|
2147
|
+
results["vS"] = bulk_properties["vS"][0]
|
|
2148
|
+
results["vP/vS"] = bulk_properties["vPvS"][0]
|
|
2149
|
+
results["K"] = bulk_properties["K"][0]
|
|
2150
|
+
results["G"] = bulk_properties["G"][0]
|
|
2151
|
+
results["E"] = bulk_properties["E"][0]
|
|
2152
|
+
results["nu"] = bulk_properties["nu"][0]
|
|
2153
|
+
results["GR"] = bulk_properties["GR"][0]
|
|
2154
|
+
results["PE"] = bulk_properties["PE"][0]
|
|
2155
|
+
#
|
|
2156
|
+
return results
|
|
2157
|
+
#
|
|
2158
|
+
def create_greenschist_basaltic(self, number, porosity=None):
|
|
2159
|
+
#
|
|
2160
|
+
self.data_actinolite = Inosilicates(impurity="pure", data_type=True).create_actinolite()
|
|
2161
|
+
self.data_chlorite = Phyllosilicates(impurity="pure", data_type=True).create_chlorite()
|
|
2162
|
+
self.data_epidote = Sorosilicates(impurity="pure", data_type=True).create_epidote()
|
|
2163
|
+
self.data_plagioclase = Tectosilicates(impurity="pure", data_type=True).create_plagioclase()
|
|
2164
|
+
#
|
|
2165
|
+
assemblage = [self.data_chlorite, self.data_actinolite, self.data_plagioclase, self.data_epidote]
|
|
2166
|
+
#
|
|
2167
|
+
amounts_mineralogy = {}
|
|
2168
|
+
amounts_chemistry = {}
|
|
2169
|
+
bulk_properties = {}
|
|
2170
|
+
properties = ["rho_s", "rho", "K", "G", "E", "nu", "vP", "vS", "vPvS", "GR", "PE", "phi"]
|
|
2171
|
+
for property in properties:
|
|
2172
|
+
bulk_properties[property] = []
|
|
2173
|
+
mineral_list = []
|
|
2174
|
+
elements = []
|
|
2175
|
+
for mineral in assemblage:
|
|
2176
|
+
amounts_mineralogy[mineral["mineral"]] = []
|
|
2177
|
+
mineral_list.append(mineral["mineral"])
|
|
2178
|
+
elements_mineral = list(mineral["chemistry"].keys())
|
|
2179
|
+
for element in elements_mineral:
|
|
2180
|
+
if element not in elements:
|
|
2181
|
+
elements.append(element)
|
|
2182
|
+
amounts_chemistry[element] = []
|
|
2183
|
+
mineral_list.sort()
|
|
2184
|
+
elements.sort()
|
|
2185
|
+
#
|
|
2186
|
+
n = 0
|
|
2187
|
+
amounts_helper = []
|
|
2188
|
+
while n < number:
|
|
2189
|
+
w_total = 0
|
|
2190
|
+
n_minerals = 0
|
|
2191
|
+
for mineral in mineral_list:
|
|
2192
|
+
if mineral == "Act":
|
|
2193
|
+
if n_minerals < len(mineral_list)-1:
|
|
2194
|
+
value = round(rd.uniform(0.20, 0.30), 4)
|
|
2195
|
+
else:
|
|
2196
|
+
value = round(1-w_total, 4)
|
|
2197
|
+
if value >= 0.0 and 0.20 <= value <= 0.30:
|
|
2198
|
+
amounts_helper.append(value)
|
|
2199
|
+
w_total += value
|
|
2200
|
+
n_minerals += 1
|
|
2201
|
+
elif mineral == "Chl":
|
|
2202
|
+
if n_minerals < len(mineral_list)-1:
|
|
2203
|
+
value = round(rd.uniform(0.25, 0.50), 4)
|
|
2204
|
+
else:
|
|
2205
|
+
value = round(1-w_total, 4)
|
|
2206
|
+
if value >= 0.0 and 0.25 <= value <= 0.50:
|
|
2207
|
+
amounts_helper.append(value)
|
|
2208
|
+
w_total += value
|
|
2209
|
+
n_minerals += 1
|
|
2210
|
+
elif mineral == "Ep":
|
|
2211
|
+
if n_minerals < len(mineral_list)-1:
|
|
2212
|
+
value = round(rd.uniform(0.0, 0.05), 4)
|
|
2213
|
+
else:
|
|
2214
|
+
value = round(1-w_total, 4)
|
|
2215
|
+
if value >= 0.0 and 0.0 <= value <= 0.05:
|
|
2216
|
+
amounts_helper.append(value)
|
|
2217
|
+
w_total += value
|
|
2218
|
+
n_minerals += 1
|
|
2219
|
+
elif mineral == "Pl":
|
|
2220
|
+
if n_minerals < len(mineral_list)-1:
|
|
2221
|
+
value = round(1-w_total, 4)
|
|
2222
|
+
else:
|
|
2223
|
+
value = round(1-w_total, 4)
|
|
2224
|
+
if value >= 0.0 and 0.20 <= value <= 0.55:
|
|
2225
|
+
amounts_helper.append(value)
|
|
2226
|
+
w_total += value
|
|
2227
|
+
n_minerals += 1
|
|
2228
|
+
#
|
|
2229
|
+
if np.sum(amounts_helper) == 1.0 and n_minerals == len(mineral_list):
|
|
2230
|
+
for index, mineral in enumerate(mineral_list):
|
|
2231
|
+
amounts_mineralogy[mineral].append(amounts_helper[index])
|
|
2232
|
+
n += 1
|
|
2233
|
+
amounts_helper.clear()
|
|
2234
|
+
else:
|
|
2235
|
+
n += 0
|
|
2236
|
+
amounts_helper.clear()
|
|
2237
|
+
#
|
|
2238
|
+
n = 0
|
|
2239
|
+
amounts_helper = {}
|
|
2240
|
+
while n < number:
|
|
2241
|
+
w_total = 0
|
|
2242
|
+
n_elements = 0
|
|
2243
|
+
rho_s_helper = 0
|
|
2244
|
+
bulkmod_helper = 0
|
|
2245
|
+
shearmod_helper = 0
|
|
2246
|
+
gr_helper = 0
|
|
2247
|
+
pe_helper = 0
|
|
2248
|
+
if porosity == None:
|
|
2249
|
+
phi_helper = round(rd.uniform(0.0, 0.05), 4)
|
|
2250
|
+
else:
|
|
2251
|
+
phi_helper = porosity
|
|
2252
|
+
#
|
|
2253
|
+
x = rd.uniform(0.9, 1.0)
|
|
2254
|
+
self.data_plagioclase = Tectosilicates(impurity="pure", data_type=True).create_plagioclase(x_value=x)
|
|
2255
|
+
self.data_chlorite = Phyllosilicates(impurity="pure", data_type=True).create_chlorite()
|
|
2256
|
+
self.data_actinolite = Inosilicates(impurity="pure", data_type=True).create_actinolite()
|
|
2257
|
+
for element in elements:
|
|
2258
|
+
amounts_helper[element] = 0
|
|
2259
|
+
if element in self.data_actinolite["chemistry"]:
|
|
2260
|
+
if n_elements < len(elements)-1:
|
|
2261
|
+
value = round(amounts_mineralogy["Act"][n]*self.data_actinolite["chemistry"][element], 4)
|
|
2262
|
+
else:
|
|
2263
|
+
value = round(1-w_total, 4)
|
|
2264
|
+
amounts_helper[element] += value
|
|
2265
|
+
w_total += value
|
|
2266
|
+
if element in self.data_chlorite["chemistry"]:
|
|
2267
|
+
if n_elements < len(elements)-1:
|
|
2268
|
+
value = round(amounts_mineralogy["Chl"][n]*self.data_chlorite["chemistry"][element], 4)
|
|
2269
|
+
else:
|
|
2270
|
+
value = round(1-w_total, 4)
|
|
2271
|
+
amounts_helper[element] += value
|
|
2272
|
+
w_total += value
|
|
2273
|
+
if element in self.data_epidote["chemistry"]:
|
|
2274
|
+
if n_elements < len(elements)-1:
|
|
2275
|
+
value = round(amounts_mineralogy["Ep"][n]*self.data_epidote["chemistry"][element], 4)
|
|
2276
|
+
else:
|
|
2277
|
+
value = round(1-w_total, 4)
|
|
2278
|
+
amounts_helper[element] += value
|
|
2279
|
+
w_total += value
|
|
2280
|
+
if element in self.data_plagioclase["chemistry"]:
|
|
2281
|
+
if n_elements < len(elements)-1:
|
|
2282
|
+
value = round(amounts_mineralogy["Pl"][n]*self.data_plagioclase["chemistry"][element], 4)
|
|
2283
|
+
else:
|
|
2284
|
+
value = round(1-w_total, 4)
|
|
2285
|
+
amounts_helper[element] += value
|
|
2286
|
+
w_total += value
|
|
2287
|
+
#
|
|
2288
|
+
n_elements += 1
|
|
2289
|
+
if sum(amounts_helper.values()) == 1.0:
|
|
2290
|
+
for key, value in amounts_helper.items():
|
|
2291
|
+
amounts_chemistry[key].append(round(value, 4))
|
|
2292
|
+
for mineral in mineral_list:
|
|
2293
|
+
if mineral == "Act":
|
|
2294
|
+
rho_s_helper += round(amounts_mineralogy[mineral][n]*self.data_actinolite["rho"], 3)
|
|
2295
|
+
bulkmod_helper += round(amounts_mineralogy[mineral][n]*self.data_actinolite["K"], 3)
|
|
2296
|
+
shearmod_helper += round(0.67*amounts_mineralogy[mineral][n]*self.data_actinolite["G"], 3)
|
|
2297
|
+
gr_helper += round(amounts_mineralogy[mineral][n]*self.data_actinolite["GR"], 3)
|
|
2298
|
+
pe_helper += round(amounts_mineralogy[mineral][n]*self.data_actinolite["PE"], 3)
|
|
2299
|
+
elif mineral == "Pl":
|
|
2300
|
+
rho_s_helper += round(amounts_mineralogy[mineral][n]*self.data_plagioclase["rho"], 3)
|
|
2301
|
+
bulkmod_helper += round(amounts_mineralogy[mineral][n]*self.data_plagioclase["K"], 3)
|
|
2302
|
+
shearmod_helper += round(0.67*amounts_mineralogy[mineral][n]*self.data_plagioclase["G"], 3)
|
|
2303
|
+
gr_helper += round(amounts_mineralogy[mineral][n]*self.data_plagioclase["GR"], 3)
|
|
2304
|
+
pe_helper += round(amounts_mineralogy[mineral][n]*self.data_plagioclase["PE"], 3)
|
|
2305
|
+
elif mineral == "Chl":
|
|
2306
|
+
rho_s_helper += round(amounts_mineralogy[mineral][n]*self.data_chlorite["rho"], 3)
|
|
2307
|
+
bulkmod_helper += round(amounts_mineralogy[mineral][n]*self.data_chlorite["K"], 3)
|
|
2308
|
+
shearmod_helper += round(0.67*amounts_mineralogy[mineral][n]*self.data_chlorite["G"], 3)
|
|
2309
|
+
gr_helper += round(amounts_mineralogy[mineral][n]*self.data_chlorite["GR"], 3)
|
|
2310
|
+
pe_helper += round(amounts_mineralogy[mineral][n]*self.data_chlorite["PE"], 3)
|
|
2311
|
+
elif mineral == "Ep":
|
|
2312
|
+
rho_s_helper += round(amounts_mineralogy[mineral][n]*self.data_epidote["rho"], 3)
|
|
2313
|
+
bulkmod_helper += round(amounts_mineralogy[mineral][n]*self.data_epidote["K"], 3)
|
|
2314
|
+
shearmod_helper += round(0.67*amounts_mineralogy[mineral][n]*self.data_epidote["G"], 3)
|
|
2315
|
+
gr_helper += round(amounts_mineralogy[mineral][n]*self.data_epidote["GR"], 3)
|
|
2316
|
+
pe_helper += round(amounts_mineralogy[mineral][n]*self.data_epidote["PE"], 3)
|
|
2317
|
+
#
|
|
2318
|
+
rho_helper = round((1-phi_helper)*rho_s_helper + phi_helper*self.data_water[2]/1000, 3)
|
|
2319
|
+
youngsmod_helper = round((9*bulkmod_helper*shearmod_helper)/(3*bulkmod_helper + shearmod_helper), 3)
|
|
2320
|
+
poisson_helper = round((3*bulkmod_helper - 2*shearmod_helper)/(6*bulkmod_helper + 2*shearmod_helper), 3)
|
|
2321
|
+
vP_helper = round(((bulkmod_helper*10**9 + 4/3*shearmod_helper*10**9)/(rho_helper))**0.5, 3)
|
|
2322
|
+
vS_helper = round(((shearmod_helper*10**9)/(rho_helper))**0.5, 3)
|
|
2323
|
+
vPvS_helper_helper = round(vP_helper/vS_helper, 3)
|
|
2324
|
+
#
|
|
2325
|
+
bulk_properties["rho_s"].append(round(rho_s_helper, 3))
|
|
2326
|
+
bulk_properties["rho"].append(rho_helper)
|
|
2327
|
+
bulk_properties["K"].append(round(bulkmod_helper, 3))
|
|
2328
|
+
bulk_properties["G"].append(round(shearmod_helper, 3))
|
|
2329
|
+
bulk_properties["E"].append(youngsmod_helper)
|
|
2330
|
+
bulk_properties["nu"].append(poisson_helper)
|
|
2331
|
+
bulk_properties["vP"].append(vP_helper)
|
|
2332
|
+
bulk_properties["vS"].append(vS_helper)
|
|
2333
|
+
bulk_properties["vPvS"].append(vPvS_helper_helper)
|
|
2334
|
+
bulk_properties["GR"].append(round(gr_helper, 3))
|
|
2335
|
+
bulk_properties["PE"].append(round(pe_helper, 3))
|
|
2336
|
+
bulk_properties["phi"].append(round(phi_helper, 3))
|
|
2337
|
+
n += 1
|
|
2338
|
+
#
|
|
2339
|
+
results = {}
|
|
2340
|
+
results["rock"] = "Greenschist"
|
|
2341
|
+
if number > 1:
|
|
2342
|
+
results["mineralogy"] = amounts_mineralogy
|
|
2343
|
+
results["chemistry"] = amounts_chemistry
|
|
2344
|
+
results["phi"] = bulk_properties["phi"]
|
|
2345
|
+
results["fluid"] = "water"
|
|
2346
|
+
results["rho_s"] = bulk_properties["rho_s"]
|
|
2347
|
+
results["rho"] = bulk_properties["rho"]
|
|
2348
|
+
results["vP"] = bulk_properties["vP"]
|
|
2349
|
+
results["vS"] = bulk_properties["vS"]
|
|
2350
|
+
results["vP/vS"] = bulk_properties["vPvS"]
|
|
2351
|
+
results["K"] = bulk_properties["K"]
|
|
2352
|
+
results["G"] = bulk_properties["G"]
|
|
2353
|
+
results["E"] = bulk_properties["E"]
|
|
2354
|
+
results["nu"] = bulk_properties["nu"]
|
|
2355
|
+
results["GR"] = bulk_properties["GR"]
|
|
2356
|
+
results["PE"] = bulk_properties["PE"]
|
|
2357
|
+
else:
|
|
2358
|
+
single_amounts_mineralogy = {}
|
|
2359
|
+
single_amounts_chemistry = {}
|
|
2360
|
+
for mineral, value in amounts_mineralogy.items():
|
|
2361
|
+
single_amounts_mineralogy[mineral] = value[0]
|
|
2362
|
+
for element, value in amounts_chemistry.items():
|
|
2363
|
+
single_amounts_chemistry[element] = value[0]
|
|
2364
|
+
results["mineralogy"] = single_amounts_mineralogy
|
|
2365
|
+
results["chemistry"] = single_amounts_chemistry
|
|
2366
|
+
results["phi"] = bulk_properties["phi"][0]
|
|
2367
|
+
results["fluid"] = "water"
|
|
2368
|
+
results["rho_s"] = bulk_properties["rho_s"][0]
|
|
2369
|
+
results["rho"] = bulk_properties["rho"][0]
|
|
2370
|
+
results["vP"] = bulk_properties["vP"][0]
|
|
2371
|
+
results["vS"] = bulk_properties["vS"][0]
|
|
2372
|
+
results["vP/vS"] = bulk_properties["vPvS"][0]
|
|
2373
|
+
results["K"] = bulk_properties["K"][0]
|
|
2374
|
+
results["G"] = bulk_properties["G"][0]
|
|
2375
|
+
results["E"] = bulk_properties["E"][0]
|
|
2376
|
+
results["nu"] = bulk_properties["nu"][0]
|
|
2377
|
+
results["GR"] = bulk_properties["GR"][0]
|
|
2378
|
+
results["PE"] = bulk_properties["PE"][0]
|
|
2379
|
+
#
|
|
2380
|
+
return results
|
|
2381
|
+
#
|
|
2382
|
+
def create_greenschist_ultramafic(self, number, porosity=None):
|
|
2383
|
+
#
|
|
2384
|
+
self.data_brucite = Oxides(impurity="pure", data_type=True).create_brucite()
|
|
2385
|
+
self.data_chlorite = Phyllosilicates(impurity="pure", data_type=True).create_chlorite()
|
|
2386
|
+
self.data_chrysotile = Phyllosilicates(impurity="pure", data_type=True).create_chrysotile()
|
|
2387
|
+
self.data_diopside = Inosilicates(impurity="pure", data_type=True).create_diopside()
|
|
2388
|
+
self.data_talc = Phyllosilicates(impurity="pure", data_type=True).create_talc()
|
|
2389
|
+
self.data_tremolite = Inosilicates(impurity="pure", data_type=True).create_tremolite()
|
|
2390
|
+
#
|
|
2391
|
+
assemblage = [self.data_chlorite, self.data_chrysotile, self.data_talc, self.data_tremolite,
|
|
2392
|
+
self.data_diopside, self.data_brucite]
|
|
2393
|
+
#
|
|
2394
|
+
amounts_mineralogy = {}
|
|
2395
|
+
amounts_chemistry = {}
|
|
2396
|
+
bulk_properties = {}
|
|
2397
|
+
properties = ["rho_s", "rho", "K", "G", "E", "nu", "vP", "vS", "vPvS", "GR", "PE", "phi"]
|
|
2398
|
+
for property in properties:
|
|
2399
|
+
bulk_properties[property] = []
|
|
2400
|
+
mineral_list = []
|
|
2401
|
+
elements = []
|
|
2402
|
+
for mineral in assemblage:
|
|
2403
|
+
amounts_mineralogy[mineral["mineral"]] = []
|
|
2404
|
+
mineral_list.append(mineral["mineral"])
|
|
2405
|
+
elements_mineral = list(mineral["chemistry"].keys())
|
|
2406
|
+
for element in elements_mineral:
|
|
2407
|
+
if element not in elements:
|
|
2408
|
+
elements.append(element)
|
|
2409
|
+
amounts_chemistry[element] = []
|
|
2410
|
+
mineral_list.sort()
|
|
2411
|
+
elements.sort()
|
|
2412
|
+
#
|
|
2413
|
+
n = 0
|
|
2414
|
+
amounts_helper = []
|
|
2415
|
+
while n < number:
|
|
2416
|
+
w_total = 0
|
|
2417
|
+
n_minerals = 0
|
|
2418
|
+
for mineral in mineral_list:
|
|
2419
|
+
if mineral == "Bru":
|
|
2420
|
+
if n_minerals < len(mineral_list)-1:
|
|
2421
|
+
value = round(rd.uniform(0.0, 0.05), 4) # Bru (0.0, 0.05), Chl (0.25, 0.50), Ctl (0.25, 0.50), Tlc (0.15, 0.20), Tr (0.10, 0.20), Di (0.0, 0.05)
|
|
2422
|
+
else:
|
|
2423
|
+
value = round(1-w_total, 4)
|
|
2424
|
+
if value >= 0.0 and 0.0 <= value <= 0.05:
|
|
2425
|
+
amounts_helper.append(value)
|
|
2426
|
+
w_total += value
|
|
2427
|
+
n_minerals += 1
|
|
2428
|
+
elif mineral == "Chl":
|
|
2429
|
+
if n_minerals < len(mineral_list)-1:
|
|
2430
|
+
value = round(rd.uniform(0.25, 0.50), 4)
|
|
2431
|
+
else:
|
|
2432
|
+
value = round(1-w_total, 4)
|
|
2433
|
+
if value >= 0.0 and 0.25 <= value <= 0.50:
|
|
2434
|
+
amounts_helper.append(value)
|
|
2435
|
+
w_total += value
|
|
2436
|
+
n_minerals += 1
|
|
2437
|
+
elif mineral == "Ctl":
|
|
2438
|
+
if n_minerals < len(mineral_list)-1:
|
|
2439
|
+
value = round(rd.uniform(0.25, 0.50), 4)
|
|
2440
|
+
else:
|
|
2441
|
+
value = round(1-w_total, 4)
|
|
2442
|
+
if value >= 0.0 and 0.25 <= value <= 0.50:
|
|
2443
|
+
amounts_helper.append(value)
|
|
2444
|
+
w_total += value
|
|
2445
|
+
n_minerals += 1
|
|
2446
|
+
elif mineral == "Tlc":
|
|
2447
|
+
if n_minerals < len(mineral_list)-1:
|
|
2448
|
+
value = round(rd.uniform(0.15, 0.20), 4)
|
|
2449
|
+
else:
|
|
2450
|
+
value = round(1-w_total, 4)
|
|
2451
|
+
if value >= 0.0 and 0.15 <= value <= 0.20:
|
|
2452
|
+
amounts_helper.append(value)
|
|
2453
|
+
w_total += value
|
|
2454
|
+
n_minerals += 1
|
|
2455
|
+
elif mineral == "Tr":
|
|
2456
|
+
if n_minerals < len(mineral_list)-1:
|
|
2457
|
+
value = round(1-w_total, 4)
|
|
2458
|
+
else:
|
|
2459
|
+
value = round(1-w_total, 4)
|
|
2460
|
+
if value >= 0.0 and 0.10 <= value <= 0.20:
|
|
2461
|
+
amounts_helper.append(value)
|
|
2462
|
+
w_total += value
|
|
2463
|
+
n_minerals += 1
|
|
2464
|
+
elif mineral == "Di":
|
|
2465
|
+
if n_minerals < len(mineral_list)-1:
|
|
2466
|
+
value = round(rd.uniform(0.0, 0.05), 4)
|
|
2467
|
+
else:
|
|
2468
|
+
value = round(1-w_total, 4)
|
|
2469
|
+
if value >= 0.0 and 0.0 <= value <= 0.05:
|
|
2470
|
+
amounts_helper.append(value)
|
|
2471
|
+
w_total += value
|
|
2472
|
+
n_minerals += 1
|
|
2473
|
+
#
|
|
2474
|
+
if np.sum(amounts_helper) == 1.0 and n_minerals == len(mineral_list):
|
|
2475
|
+
for index, mineral in enumerate(mineral_list):
|
|
2476
|
+
amounts_mineralogy[mineral].append(amounts_helper[index])
|
|
2477
|
+
n += 1
|
|
2478
|
+
amounts_helper.clear()
|
|
2479
|
+
else:
|
|
2480
|
+
n += 0
|
|
2481
|
+
amounts_helper.clear()
|
|
2482
|
+
#
|
|
2483
|
+
n = 0
|
|
2484
|
+
amounts_helper = {}
|
|
2485
|
+
while n < number:
|
|
2486
|
+
w_total = 0
|
|
2487
|
+
n_elements = 0
|
|
2488
|
+
rho_s_helper = 0
|
|
2489
|
+
bulkmod_helper = 0
|
|
2490
|
+
shearmod_helper = 0
|
|
2491
|
+
gr_helper = 0
|
|
2492
|
+
pe_helper = 0
|
|
2493
|
+
if porosity == None:
|
|
2494
|
+
phi_helper = round(rd.uniform(0.0, 0.05), 4)
|
|
2495
|
+
else:
|
|
2496
|
+
phi_helper = porosity
|
|
2497
|
+
#
|
|
2498
|
+
self.data_chlorite = Phyllosilicates(impurity="pure", data_type=True).create_chlorite()
|
|
2499
|
+
#
|
|
2500
|
+
for element in elements:
|
|
2501
|
+
amounts_helper[element] = 0
|
|
2502
|
+
if element in self.data_brucite["chemistry"]:
|
|
2503
|
+
if n_elements < len(elements)-1:
|
|
2504
|
+
value = round(amounts_mineralogy["Bru"][n]*self.data_brucite["chemistry"][element], 4)
|
|
2505
|
+
else:
|
|
2506
|
+
value = round(1-w_total, 4)
|
|
2507
|
+
amounts_helper[element] += value
|
|
2508
|
+
w_total += value
|
|
2509
|
+
if element in self.data_chlorite["chemistry"]:
|
|
2510
|
+
if n_elements < len(elements)-1:
|
|
2511
|
+
value = round(amounts_mineralogy["Chl"][n]*self.data_chlorite["chemistry"][element], 4)
|
|
2512
|
+
else:
|
|
2513
|
+
value = round(1-w_total, 4)
|
|
2514
|
+
amounts_helper[element] += value
|
|
2515
|
+
w_total += value
|
|
2516
|
+
if element in self.data_chrysotile["chemistry"]:
|
|
2517
|
+
if n_elements < len(elements)-1:
|
|
2518
|
+
value = round(amounts_mineralogy["Ctl"][n]*self.data_chrysotile["chemistry"][element], 4)
|
|
2519
|
+
else:
|
|
2520
|
+
value = round(1-w_total, 4)
|
|
2521
|
+
amounts_helper[element] += value
|
|
2522
|
+
w_total += value
|
|
2523
|
+
if element in self.data_diopside["chemistry"]:
|
|
2524
|
+
if n_elements < len(elements)-1:
|
|
2525
|
+
value = round(amounts_mineralogy["Di"][n]*self.data_diopside["chemistry"][element], 4)
|
|
2526
|
+
else:
|
|
2527
|
+
value = round(1-w_total, 4)
|
|
2528
|
+
amounts_helper[element] += value
|
|
2529
|
+
w_total += value
|
|
2530
|
+
if element in self.data_talc["chemistry"]:
|
|
2531
|
+
if n_elements < len(elements)-1:
|
|
2532
|
+
value = round(amounts_mineralogy["Tlc"][n]*self.data_talc["chemistry"][element], 4)
|
|
2533
|
+
else:
|
|
2534
|
+
value = round(1-w_total, 4)
|
|
2535
|
+
amounts_helper[element] += value
|
|
2536
|
+
w_total += value
|
|
2537
|
+
if element in self.data_tremolite["chemistry"]:
|
|
2538
|
+
if n_elements < len(elements)-1:
|
|
2539
|
+
value = round(amounts_mineralogy["Tr"][n]*self.data_tremolite["chemistry"][element], 4)
|
|
2540
|
+
else:
|
|
2541
|
+
value = round(1-w_total, 4)
|
|
2542
|
+
amounts_helper[element] += value
|
|
2543
|
+
w_total += value
|
|
2544
|
+
#
|
|
2545
|
+
n_elements += 1
|
|
2546
|
+
if sum(amounts_helper.values()) == 1.0:
|
|
2547
|
+
for key, value in amounts_helper.items():
|
|
2548
|
+
amounts_chemistry[key].append(round(value, 4))
|
|
2549
|
+
for mineral in mineral_list:
|
|
2550
|
+
if mineral == "Bru":
|
|
2551
|
+
rho_s_helper += round(amounts_mineralogy[mineral][n]*self.data_brucite["rho"], 3)
|
|
2552
|
+
bulkmod_helper += round(amounts_mineralogy[mineral][n]*self.data_brucite["K"], 3)
|
|
2553
|
+
shearmod_helper += round(0.67*amounts_mineralogy[mineral][n]*self.data_brucite["G"], 3)
|
|
2554
|
+
gr_helper += round(amounts_mineralogy[mineral][n]*self.data_brucite["GR"], 3)
|
|
2555
|
+
pe_helper += round(amounts_mineralogy[mineral][n]*self.data_brucite["PE"], 3)
|
|
2556
|
+
elif mineral == "Chl":
|
|
2557
|
+
rho_s_helper += round(amounts_mineralogy[mineral][n]*self.data_chlorite["rho"], 3)
|
|
2558
|
+
bulkmod_helper += round(amounts_mineralogy[mineral][n]*self.data_chlorite["K"], 3)
|
|
2559
|
+
shearmod_helper += round(0.67*amounts_mineralogy[mineral][n]*self.data_chlorite["G"], 3)
|
|
2560
|
+
gr_helper += round(amounts_mineralogy[mineral][n]*self.data_chlorite["GR"], 3)
|
|
2561
|
+
pe_helper += round(amounts_mineralogy[mineral][n]*self.data_chlorite["PE"], 3)
|
|
2562
|
+
elif mineral == "Ctl":
|
|
2563
|
+
rho_s_helper += round(amounts_mineralogy[mineral][n]*self.data_chrysotile["rho"], 3)
|
|
2564
|
+
bulkmod_helper += round(amounts_mineralogy[mineral][n]*self.data_chrysotile["K"], 3)
|
|
2565
|
+
shearmod_helper += round(0.67*amounts_mineralogy[mineral][n]*self.data_chrysotile["G"], 3)
|
|
2566
|
+
gr_helper += round(amounts_mineralogy[mineral][n]*self.data_chrysotile["GR"], 3)
|
|
2567
|
+
pe_helper += round(amounts_mineralogy[mineral][n]*self.data_chrysotile["PE"], 3)
|
|
2568
|
+
elif mineral == "Di":
|
|
2569
|
+
rho_s_helper += round(amounts_mineralogy[mineral][n]*self.data_diopside["rho"], 3)
|
|
2570
|
+
bulkmod_helper += round(amounts_mineralogy[mineral][n]*self.data_diopside["K"], 3)
|
|
2571
|
+
shearmod_helper += round(0.67*amounts_mineralogy[mineral][n]*self.data_diopside["G"], 3)
|
|
2572
|
+
gr_helper += round(amounts_mineralogy[mineral][n]*self.data_diopside["GR"], 3)
|
|
2573
|
+
pe_helper += round(amounts_mineralogy[mineral][n]*self.data_diopside["PE"], 3)
|
|
2574
|
+
elif mineral == "Tlc":
|
|
2575
|
+
rho_s_helper += round(amounts_mineralogy[mineral][n]*self.data_talc["rho"], 3)
|
|
2576
|
+
bulkmod_helper += round(amounts_mineralogy[mineral][n]*self.data_talc["K"], 3)
|
|
2577
|
+
shearmod_helper += round(0.67*amounts_mineralogy[mineral][n]*self.data_talc["G"], 3)
|
|
2578
|
+
gr_helper += round(amounts_mineralogy[mineral][n]*self.data_talc["GR"], 3)
|
|
2579
|
+
pe_helper += round(amounts_mineralogy[mineral][n]*self.data_talc["PE"], 3)
|
|
2580
|
+
elif mineral == "Tr":
|
|
2581
|
+
rho_s_helper += round(amounts_mineralogy[mineral][n]*self.data_tremolite["rho"], 3)
|
|
2582
|
+
bulkmod_helper += round(amounts_mineralogy[mineral][n]*self.data_tremolite["K"], 3)
|
|
2583
|
+
shearmod_helper += round(0.67*amounts_mineralogy[mineral][n]*self.data_tremolite["G"], 3)
|
|
2584
|
+
gr_helper += round(amounts_mineralogy[mineral][n]*self.data_tremolite["GR"], 3)
|
|
2585
|
+
pe_helper += round(amounts_mineralogy[mineral][n]*self.data_tremolite["PE"], 3)
|
|
2586
|
+
#
|
|
2587
|
+
rho_helper = round((1-phi_helper)*rho_s_helper + phi_helper*self.data_water[2]/1000, 3)
|
|
2588
|
+
youngsmod_helper = round((9*bulkmod_helper*shearmod_helper)/(3*bulkmod_helper + shearmod_helper), 3)
|
|
2589
|
+
poisson_helper = round((3*bulkmod_helper - 2*shearmod_helper)/(6*bulkmod_helper + 2*shearmod_helper), 3)
|
|
2590
|
+
vP_helper = round(((bulkmod_helper*10**9 + 4/3*shearmod_helper*10**9)/(rho_helper))**0.5, 3)
|
|
2591
|
+
vS_helper = round(((shearmod_helper*10**9)/(rho_helper))**0.5, 3)
|
|
2592
|
+
vPvS_helper_helper = round(vP_helper/vS_helper, 3)
|
|
2593
|
+
#
|
|
2594
|
+
bulk_properties["rho_s"].append(round(rho_s_helper, 3))
|
|
2595
|
+
bulk_properties["rho"].append(rho_helper)
|
|
2596
|
+
bulk_properties["K"].append(round(bulkmod_helper, 3))
|
|
2597
|
+
bulk_properties["G"].append(round(shearmod_helper, 3))
|
|
2598
|
+
bulk_properties["E"].append(youngsmod_helper)
|
|
2599
|
+
bulk_properties["nu"].append(poisson_helper)
|
|
2600
|
+
bulk_properties["vP"].append(vP_helper)
|
|
2601
|
+
bulk_properties["vS"].append(vS_helper)
|
|
2602
|
+
bulk_properties["vPvS"].append(vPvS_helper_helper)
|
|
2603
|
+
bulk_properties["GR"].append(round(gr_helper, 3))
|
|
2604
|
+
bulk_properties["PE"].append(round(pe_helper, 3))
|
|
2605
|
+
bulk_properties["phi"].append(round(phi_helper, 3))
|
|
2606
|
+
n += 1
|
|
2607
|
+
#
|
|
2608
|
+
results = {}
|
|
2609
|
+
results["rock"] = "Greenschist"
|
|
2610
|
+
if number > 1:
|
|
2611
|
+
results["mineralogy"] = amounts_mineralogy
|
|
2612
|
+
results["chemistry"] = amounts_chemistry
|
|
2613
|
+
results["phi"] = bulk_properties["phi"]
|
|
2614
|
+
results["fluid"] = "water"
|
|
2615
|
+
results["rho_s"] = bulk_properties["rho_s"]
|
|
2616
|
+
results["rho"] = bulk_properties["rho"]
|
|
2617
|
+
results["vP"] = bulk_properties["vP"]
|
|
2618
|
+
results["vS"] = bulk_properties["vS"]
|
|
2619
|
+
results["vP/vS"] = bulk_properties["vPvS"]
|
|
2620
|
+
results["K"] = bulk_properties["K"]
|
|
2621
|
+
results["G"] = bulk_properties["G"]
|
|
2622
|
+
results["E"] = bulk_properties["E"]
|
|
2623
|
+
results["nu"] = bulk_properties["nu"]
|
|
2624
|
+
results["GR"] = bulk_properties["GR"]
|
|
2625
|
+
results["PE"] = bulk_properties["PE"]
|
|
2626
|
+
else:
|
|
2627
|
+
single_amounts_mineralogy = {}
|
|
2628
|
+
single_amounts_chemistry = {}
|
|
2629
|
+
for mineral, value in amounts_mineralogy.items():
|
|
2630
|
+
single_amounts_mineralogy[mineral] = value[0]
|
|
2631
|
+
for element, value in amounts_chemistry.items():
|
|
2632
|
+
single_amounts_chemistry[element] = value[0]
|
|
2633
|
+
results["mineralogy"] = single_amounts_mineralogy
|
|
2634
|
+
results["chemistry"] = single_amounts_chemistry
|
|
2635
|
+
results["phi"] = bulk_properties["phi"][0]
|
|
2636
|
+
results["fluid"] = "water"
|
|
2637
|
+
results["rho_s"] = bulk_properties["rho_s"][0]
|
|
2638
|
+
results["rho"] = bulk_properties["rho"][0]
|
|
2639
|
+
results["vP"] = bulk_properties["vP"][0]
|
|
2640
|
+
results["vS"] = bulk_properties["vS"][0]
|
|
2641
|
+
results["vP/vS"] = bulk_properties["vPvS"][0]
|
|
2642
|
+
results["K"] = bulk_properties["K"][0]
|
|
2643
|
+
results["G"] = bulk_properties["G"][0]
|
|
2644
|
+
results["E"] = bulk_properties["E"][0]
|
|
2645
|
+
results["nu"] = bulk_properties["nu"][0]
|
|
2646
|
+
results["GR"] = bulk_properties["GR"][0]
|
|
2647
|
+
results["PE"] = bulk_properties["PE"][0]
|
|
2648
|
+
#
|
|
2649
|
+
return results
|
|
2650
|
+
#
|
|
2651
|
+
def create_greenschist_pelitic(self, number, porosity=None):
|
|
2652
|
+
#
|
|
2653
|
+
data_quartz = Oxides(impurity="pure", data_type=True).create_quartz() # fixed
|
|
2654
|
+
data_alkalifeldspar = Tectosilicates(impurity="pure", data_type=True).create_alkalifeldspar() # variable
|
|
2655
|
+
data_plagioclase = Tectosilicates(impurity="pure", data_type=True).create_plagioclase() # variable
|
|
2656
|
+
data_chlorite = Phyllosilicates(impurity="pure", data_type=True).create_chlorite() # variable
|
|
2657
|
+
data_muscovite = Phyllosilicates(impurity="pure", data_type=True).create_muscovite() # variable
|
|
2658
|
+
data_garnet_al = Nesosilicates(impurity="pure", data_type=True).create_aluminium_garnet() # variable
|
|
2659
|
+
data_pyrophyllite = Phyllosilicates(impurity="pure", data_type=True).create_pyrophyllite() # fixed
|
|
2660
|
+
#
|
|
2661
|
+
assemblage = [data_quartz, data_alkalifeldspar, data_plagioclase, data_chlorite, data_muscovite,
|
|
2662
|
+
data_garnet_al, data_pyrophyllite]
|
|
2663
|
+
#
|
|
2664
|
+
amounts_mineralogy = {}
|
|
2665
|
+
amounts_chemistry = {}
|
|
2666
|
+
bulk_properties = {}
|
|
2667
|
+
properties = ["rho_s", "rho", "K", "G", "E", "nu", "vP", "vS", "vPvS", "GR", "PE", "phi"]
|
|
2668
|
+
for property in properties:
|
|
2669
|
+
bulk_properties[property] = []
|
|
2670
|
+
mineral_list = []
|
|
2671
|
+
elements = []
|
|
2672
|
+
for mineral in assemblage:
|
|
2673
|
+
amounts_mineralogy[mineral["mineral"]] = []
|
|
2674
|
+
mineral_list.append(mineral["mineral"])
|
|
2675
|
+
elements_mineral = list(mineral["chemistry"].keys())
|
|
2676
|
+
for element in elements_mineral:
|
|
2677
|
+
if element not in elements:
|
|
2678
|
+
elements.append(element)
|
|
2679
|
+
amounts_chemistry[element] = []
|
|
2680
|
+
mineral_list.sort()
|
|
2681
|
+
elements.sort()
|
|
2682
|
+
#
|
|
2683
|
+
n = 0
|
|
2684
|
+
amounts_helper = []
|
|
2685
|
+
while n < number:
|
|
2686
|
+
w_total = 0
|
|
2687
|
+
n_minerals = 0
|
|
2688
|
+
for mineral in mineral_list:
|
|
2689
|
+
if mineral == "Qz": # Qz (0.25, 0.7), Kfs (0.05, 0.15), Pl (0.05, 0.15), Chl (0.15, 0.3), Ms (0, 0.1), Grt (0, 0.05), Prl (0, 0.05)
|
|
2690
|
+
if n_minerals < len(mineral_list)-1:
|
|
2691
|
+
value = round(1-w_total, 4)
|
|
2692
|
+
else:
|
|
2693
|
+
value = round(1-w_total, 4)
|
|
2694
|
+
if value >= 0.0 and 0.25 <= value <= 0.70:
|
|
2695
|
+
amounts_helper.append(value)
|
|
2696
|
+
w_total += value
|
|
2697
|
+
n_minerals += 1
|
|
2698
|
+
elif mineral == "Kfs":
|
|
2699
|
+
if n_minerals < len(mineral_list)-1:
|
|
2700
|
+
value = round(rd.uniform(0.05, 0.15), 4)
|
|
2701
|
+
else:
|
|
2702
|
+
value = round(1-w_total, 4)
|
|
2703
|
+
if value >= 0.0 and 0.05 <= value <= 0.15:
|
|
2704
|
+
amounts_helper.append(value)
|
|
2705
|
+
w_total += value
|
|
2706
|
+
n_minerals += 1
|
|
2707
|
+
elif mineral == "Pl":
|
|
2708
|
+
if n_minerals < len(mineral_list)-1:
|
|
2709
|
+
value = round(rd.uniform(0.05, 0.15), 4)
|
|
2710
|
+
else:
|
|
2711
|
+
value = round(1-w_total, 4)
|
|
2712
|
+
if value >= 0.0 and 0.05 <= value <= 0.15:
|
|
2713
|
+
amounts_helper.append(value)
|
|
2714
|
+
w_total += value
|
|
2715
|
+
n_minerals += 1
|
|
2716
|
+
elif mineral == "Chl":
|
|
2717
|
+
if n_minerals < len(mineral_list)-1:
|
|
2718
|
+
value = round(rd.uniform(0.15, 0.30), 4)
|
|
2719
|
+
else:
|
|
2720
|
+
value = round(1-w_total, 4)
|
|
2721
|
+
if value >= 0.0 and 0.15 <= value <= 0.30:
|
|
2722
|
+
amounts_helper.append(value)
|
|
2723
|
+
w_total += value
|
|
2724
|
+
n_minerals += 1
|
|
2725
|
+
elif mineral == "Ms":
|
|
2726
|
+
if n_minerals < len(mineral_list)-1:
|
|
2727
|
+
value = round(rd.uniform(0.0, 0.10), 4)
|
|
2728
|
+
else:
|
|
2729
|
+
value = round(1-w_total, 4)
|
|
2730
|
+
if value >= 0.0 and 0.0 <= value <= 0.10:
|
|
2731
|
+
amounts_helper.append(value)
|
|
2732
|
+
w_total += value
|
|
2733
|
+
n_minerals += 1
|
|
2734
|
+
elif mineral == "Grt":
|
|
2735
|
+
if n_minerals < len(mineral_list)-1:
|
|
2736
|
+
value = round(rd.uniform(0.0, 0.05), 4)
|
|
2737
|
+
else:
|
|
2738
|
+
value = round(1-w_total, 4)
|
|
2739
|
+
if value >= 0.0 and 0.0 <= value <= 0.05:
|
|
2740
|
+
amounts_helper.append(value)
|
|
2741
|
+
w_total += value
|
|
2742
|
+
n_minerals += 1
|
|
2743
|
+
elif mineral == "Prl":
|
|
2744
|
+
if n_minerals < len(mineral_list)-1:
|
|
2745
|
+
value = round(rd.uniform(0.0, 0.05), 4)
|
|
2746
|
+
else:
|
|
2747
|
+
value = round(1-w_total, 4)
|
|
2748
|
+
if value >= 0.0 and 0.0 <= value <= 0.05:
|
|
2749
|
+
amounts_helper.append(value)
|
|
2750
|
+
w_total += value
|
|
2751
|
+
n_minerals += 1
|
|
2752
|
+
#
|
|
2753
|
+
if np.sum(amounts_helper) == 1.0 and n_minerals == len(mineral_list):
|
|
2754
|
+
for index, mineral in enumerate(mineral_list):
|
|
2755
|
+
amounts_mineralogy[mineral].append(amounts_helper[index])
|
|
2756
|
+
n += 1
|
|
2757
|
+
amounts_helper.clear()
|
|
2758
|
+
else:
|
|
2759
|
+
n += 0
|
|
2760
|
+
amounts_helper.clear()
|
|
2761
|
+
#
|
|
2762
|
+
n = 0
|
|
2763
|
+
amounts_helper = {}
|
|
2764
|
+
while n < number:
|
|
2765
|
+
w_total = 0
|
|
2766
|
+
n_elements = 0
|
|
2767
|
+
rho_s_helper = 0
|
|
2768
|
+
bulkmod_helper = 0
|
|
2769
|
+
shearmod_helper = 0
|
|
2770
|
+
gr_helper = 0
|
|
2771
|
+
pe_helper = 0
|
|
2772
|
+
if porosity == None:
|
|
2773
|
+
phi_helper = round(rd.uniform(0.0, 0.05), 4)
|
|
2774
|
+
else:
|
|
2775
|
+
phi_helper = porosity
|
|
2776
|
+
#
|
|
2777
|
+
x_kfs = rd.uniform(0.9, 1.0)
|
|
2778
|
+
x_pl = rd.uniform(0.9, 1.0)
|
|
2779
|
+
data_alkalifeldspar = Tectosilicates(impurity="pure", data_type=True).create_alkalifeldspar(x_value=x_kfs)
|
|
2780
|
+
data_plagioclase = Tectosilicates(impurity="pure", data_type=True).create_plagioclase(x_value=x_pl)
|
|
2781
|
+
data_chlorite = Phyllosilicates(impurity="pure", data_type=True).create_chlorite()
|
|
2782
|
+
data_muscovite = Phyllosilicates(impurity="pure", data_type=True).create_muscovite()
|
|
2783
|
+
data_garnet_al = Nesosilicates(impurity="pure", data_type=True).create_aluminium_garnet()
|
|
2784
|
+
#
|
|
2785
|
+
for element in elements:
|
|
2786
|
+
amounts_helper[element] = 0
|
|
2787
|
+
if element in data_quartz["chemistry"]:
|
|
2788
|
+
if n_elements < len(elements)-1:
|
|
2789
|
+
value = round(amounts_mineralogy["Qz"][n]*data_quartz["chemistry"][element], 4)
|
|
2790
|
+
else:
|
|
2791
|
+
value = round(1-w_total, 4)
|
|
2792
|
+
amounts_helper[element] += value
|
|
2793
|
+
w_total += value
|
|
2794
|
+
if element in data_alkalifeldspar["chemistry"]:
|
|
2795
|
+
if n_elements < len(elements)-1:
|
|
2796
|
+
value = round(amounts_mineralogy["Kfs"][n]*data_alkalifeldspar["chemistry"][element], 4)
|
|
2797
|
+
else:
|
|
2798
|
+
value = round(1-w_total, 4)
|
|
2799
|
+
amounts_helper[element] += value
|
|
2800
|
+
w_total += value
|
|
2801
|
+
if element in data_plagioclase["chemistry"]:
|
|
2802
|
+
if n_elements < len(elements)-1:
|
|
2803
|
+
value = round(amounts_mineralogy["Pl"][n]*data_plagioclase["chemistry"][element], 4)
|
|
2804
|
+
else:
|
|
2805
|
+
value = round(1-w_total, 4)
|
|
2806
|
+
amounts_helper[element] += value
|
|
2807
|
+
w_total += value
|
|
2808
|
+
if element in data_chlorite["chemistry"]:
|
|
2809
|
+
if n_elements < len(elements)-1:
|
|
2810
|
+
value = round(amounts_mineralogy["Chl"][n]*data_chlorite["chemistry"][element], 4)
|
|
2811
|
+
else:
|
|
2812
|
+
value = round(1-w_total, 4)
|
|
2813
|
+
amounts_helper[element] += value
|
|
2814
|
+
w_total += value
|
|
2815
|
+
if element in data_muscovite["chemistry"]:
|
|
2816
|
+
if n_elements < len(elements)-1:
|
|
2817
|
+
value = round(amounts_mineralogy["Ms"][n]*data_muscovite["chemistry"][element], 4)
|
|
2818
|
+
else:
|
|
2819
|
+
value = round(1-w_total, 4)
|
|
2820
|
+
amounts_helper[element] += value
|
|
2821
|
+
w_total += value
|
|
2822
|
+
if element in data_garnet_al["chemistry"]:
|
|
2823
|
+
if n_elements < len(elements)-1:
|
|
2824
|
+
value = round(amounts_mineralogy["Grt"][n]*data_garnet_al["chemistry"][element], 4)
|
|
2825
|
+
else:
|
|
2826
|
+
value = round(1-w_total, 4)
|
|
2827
|
+
amounts_helper[element] += value
|
|
2828
|
+
w_total += value
|
|
2829
|
+
if element in data_pyrophyllite["chemistry"]:
|
|
2830
|
+
if n_elements < len(elements)-1:
|
|
2831
|
+
value = round(amounts_mineralogy["Prl"][n]*data_pyrophyllite["chemistry"][element], 4)
|
|
2832
|
+
else:
|
|
2833
|
+
value = round(1-w_total, 4)
|
|
2834
|
+
amounts_helper[element] += value
|
|
2835
|
+
w_total += value
|
|
2836
|
+
#
|
|
2837
|
+
n_elements += 1
|
|
2838
|
+
if sum(amounts_helper.values()) == 1.0:
|
|
2839
|
+
for key, value in amounts_helper.items():
|
|
2840
|
+
amounts_chemistry[key].append(round(value, 4))
|
|
2841
|
+
for mineral in mineral_list:
|
|
2842
|
+
if mineral == "Qz":
|
|
2843
|
+
rho_s_helper += round(amounts_mineralogy[mineral][n]*data_quartz["rho"], 3)
|
|
2844
|
+
bulkmod_helper += round(amounts_mineralogy[mineral][n]*data_quartz["K"], 3)
|
|
2845
|
+
shearmod_helper += round(0.67*amounts_mineralogy[mineral][n]*data_quartz["G"], 3)
|
|
2846
|
+
gr_helper += round(amounts_mineralogy[mineral][n]*data_quartz["GR"], 3)
|
|
2847
|
+
pe_helper += round(amounts_mineralogy[mineral][n]*data_quartz["PE"], 3)
|
|
2848
|
+
elif mineral == "Kfs":
|
|
2849
|
+
rho_s_helper += round(amounts_mineralogy[mineral][n]*data_alkalifeldspar["rho"], 3)
|
|
2850
|
+
bulkmod_helper += round(amounts_mineralogy[mineral][n]*data_alkalifeldspar["K"], 3)
|
|
2851
|
+
shearmod_helper += round(0.67*amounts_mineralogy[mineral][n]*data_alkalifeldspar["G"], 3)
|
|
2852
|
+
gr_helper += round(amounts_mineralogy[mineral][n]*data_alkalifeldspar["GR"], 3)
|
|
2853
|
+
pe_helper += round(amounts_mineralogy[mineral][n]*data_alkalifeldspar["PE"], 3)
|
|
2854
|
+
elif mineral == "Pl":
|
|
2855
|
+
rho_s_helper += round(amounts_mineralogy[mineral][n]*data_plagioclase["rho"], 3)
|
|
2856
|
+
bulkmod_helper += round(amounts_mineralogy[mineral][n]*data_plagioclase["K"], 3)
|
|
2857
|
+
shearmod_helper += round(0.67*amounts_mineralogy[mineral][n]*data_plagioclase["G"], 3)
|
|
2858
|
+
gr_helper += round(amounts_mineralogy[mineral][n]*data_plagioclase["GR"], 3)
|
|
2859
|
+
pe_helper += round(amounts_mineralogy[mineral][n]*data_plagioclase["PE"], 3)
|
|
2860
|
+
elif mineral == "Chl":
|
|
2861
|
+
rho_s_helper += round(amounts_mineralogy[mineral][n]*data_chlorite["rho"], 3)
|
|
2862
|
+
bulkmod_helper += round(amounts_mineralogy[mineral][n]*data_chlorite["K"], 3)
|
|
2863
|
+
shearmod_helper += round(0.67*amounts_mineralogy[mineral][n]*data_chlorite["G"], 3)
|
|
2864
|
+
gr_helper += round(amounts_mineralogy[mineral][n]*data_chlorite["GR"], 3)
|
|
2865
|
+
pe_helper += round(amounts_mineralogy[mineral][n]*data_chlorite["PE"], 3)
|
|
2866
|
+
elif mineral == "Ms":
|
|
2867
|
+
rho_s_helper += round(amounts_mineralogy[mineral][n]*data_muscovite["rho"], 3)
|
|
2868
|
+
bulkmod_helper += round(amounts_mineralogy[mineral][n]*data_muscovite["K"], 3)
|
|
2869
|
+
shearmod_helper += round(0.67*amounts_mineralogy[mineral][n]*data_muscovite["G"], 3)
|
|
2870
|
+
gr_helper += round(amounts_mineralogy[mineral][n]*data_muscovite["GR"], 3)
|
|
2871
|
+
pe_helper += round(amounts_mineralogy[mineral][n]*data_muscovite["PE"], 3)
|
|
2872
|
+
elif mineral == "Grt":
|
|
2873
|
+
rho_s_helper += round(amounts_mineralogy[mineral][n]*data_garnet_al["rho"], 3)
|
|
2874
|
+
bulkmod_helper += round(amounts_mineralogy[mineral][n]*data_garnet_al["K"], 3)
|
|
2875
|
+
shearmod_helper += round(0.67*amounts_mineralogy[mineral][n]*data_garnet_al["G"], 3)
|
|
2876
|
+
gr_helper += round(amounts_mineralogy[mineral][n]*data_garnet_al["GR"], 3)
|
|
2877
|
+
pe_helper += round(amounts_mineralogy[mineral][n]*data_garnet_al["PE"], 3)
|
|
2878
|
+
elif mineral == "Prl":
|
|
2879
|
+
rho_s_helper += round(amounts_mineralogy[mineral][n]*data_pyrophyllite["rho"], 3)
|
|
2880
|
+
bulkmod_helper += round(amounts_mineralogy[mineral][n]*data_pyrophyllite["K"], 3)
|
|
2881
|
+
shearmod_helper += round(0.67*amounts_mineralogy[mineral][n]*data_pyrophyllite["G"], 3)
|
|
2882
|
+
gr_helper += round(amounts_mineralogy[mineral][n]*data_pyrophyllite["GR"], 3)
|
|
2883
|
+
pe_helper += round(amounts_mineralogy[mineral][n]*data_pyrophyllite["PE"], 3)
|
|
2884
|
+
#
|
|
2885
|
+
rho_helper = round((1-phi_helper)*rho_s_helper + phi_helper*self.data_water[2]/1000, 3)
|
|
2886
|
+
youngsmod_helper = round((9*bulkmod_helper*shearmod_helper)/(3*bulkmod_helper + shearmod_helper), 3)
|
|
2887
|
+
poisson_helper = round((3*bulkmod_helper - 2*shearmod_helper)/(6*bulkmod_helper + 2*shearmod_helper), 3)
|
|
2888
|
+
vP_helper = round(((bulkmod_helper*10**9 + 4/3*shearmod_helper*10**9)/(rho_helper))**0.5, 3)
|
|
2889
|
+
vS_helper = round(((shearmod_helper*10**9)/(rho_helper))**0.5, 3)
|
|
2890
|
+
vPvS_helper_helper = round(vP_helper/vS_helper, 3)
|
|
2891
|
+
#
|
|
2892
|
+
bulk_properties["rho_s"].append(round(rho_s_helper, 3))
|
|
2893
|
+
bulk_properties["rho"].append(rho_helper)
|
|
2894
|
+
bulk_properties["K"].append(round(bulkmod_helper, 3))
|
|
2895
|
+
bulk_properties["G"].append(round(shearmod_helper, 3))
|
|
2896
|
+
bulk_properties["E"].append(youngsmod_helper)
|
|
2897
|
+
bulk_properties["nu"].append(poisson_helper)
|
|
2898
|
+
bulk_properties["vP"].append(vP_helper)
|
|
2899
|
+
bulk_properties["vS"].append(vS_helper)
|
|
2900
|
+
bulk_properties["vPvS"].append(vPvS_helper_helper)
|
|
2901
|
+
bulk_properties["GR"].append(round(gr_helper, 3))
|
|
2902
|
+
bulk_properties["PE"].append(round(pe_helper, 3))
|
|
2903
|
+
bulk_properties["phi"].append(round(phi_helper, 3))
|
|
2904
|
+
n += 1
|
|
2905
|
+
#
|
|
2906
|
+
results = {}
|
|
2907
|
+
results["rock"] = "Greenschist"
|
|
2908
|
+
if number > 1:
|
|
2909
|
+
results["mineralogy"] = amounts_mineralogy
|
|
2910
|
+
results["chemistry"] = amounts_chemistry
|
|
2911
|
+
results["phi"] = bulk_properties["phi"]
|
|
2912
|
+
results["fluid"] = "water"
|
|
2913
|
+
results["rho_s"] = bulk_properties["rho_s"]
|
|
2914
|
+
results["rho"] = bulk_properties["rho"]
|
|
2915
|
+
results["vP"] = bulk_properties["vP"]
|
|
2916
|
+
results["vS"] = bulk_properties["vS"]
|
|
2917
|
+
results["vP/vS"] = bulk_properties["vPvS"]
|
|
2918
|
+
results["K"] = bulk_properties["K"]
|
|
2919
|
+
results["G"] = bulk_properties["G"]
|
|
2920
|
+
results["E"] = bulk_properties["E"]
|
|
2921
|
+
results["nu"] = bulk_properties["nu"]
|
|
2922
|
+
results["GR"] = bulk_properties["GR"]
|
|
2923
|
+
results["PE"] = bulk_properties["PE"]
|
|
2924
|
+
else:
|
|
2925
|
+
single_amounts_mineralogy = {}
|
|
2926
|
+
single_amounts_chemistry = {}
|
|
2927
|
+
for mineral, value in amounts_mineralogy.items():
|
|
2928
|
+
single_amounts_mineralogy[mineral] = value[0]
|
|
2929
|
+
for element, value in amounts_chemistry.items():
|
|
2930
|
+
single_amounts_chemistry[element] = value[0]
|
|
2931
|
+
results["mineralogy"] = single_amounts_mineralogy
|
|
2932
|
+
results["chemistry"] = single_amounts_chemistry
|
|
2933
|
+
results["phi"] = bulk_properties["phi"][0]
|
|
2934
|
+
results["fluid"] = "water"
|
|
2935
|
+
results["rho_s"] = bulk_properties["rho_s"][0]
|
|
2936
|
+
results["rho"] = bulk_properties["rho"][0]
|
|
2937
|
+
results["vP"] = bulk_properties["vP"][0]
|
|
2938
|
+
results["vS"] = bulk_properties["vS"][0]
|
|
2939
|
+
results["vP/vS"] = bulk_properties["vPvS"][0]
|
|
2940
|
+
results["K"] = bulk_properties["K"][0]
|
|
2941
|
+
results["G"] = bulk_properties["G"][0]
|
|
2942
|
+
results["E"] = bulk_properties["E"][0]
|
|
2943
|
+
results["nu"] = bulk_properties["nu"][0]
|
|
2944
|
+
results["GR"] = bulk_properties["GR"][0]
|
|
2945
|
+
results["PE"] = bulk_properties["PE"][0]
|
|
2946
|
+
#
|
|
2947
|
+
return results
|
|
2948
|
+
|
|
2949
|
+
class AmphiboliteFacies:
|
|
2950
|
+
|
|
2951
|
+
def __init__(self, fluid="water", actual_thickness=100, porosity=None):
|
|
2952
|
+
self.fluid = fluid
|
|
2953
|
+
self.actualThickness = actual_thickness
|
|
2954
|
+
self.porosity = porosity
|
|
2955
|
+
|
|
2956
|
+
## Minerals
|
|
2957
|
+
self.data_quartz = Oxides(impurity="pure", data_type=True).create_quartz()
|
|
2958
|
+
self.data_kyanite = Nesosilicates(impurity="pure", data_type=True).create_kyanite()
|
|
2959
|
+
self.data_sillimanite = Nesosilicates(impurity="pure", data_type=True).create_sillimanite()
|
|
2960
|
+
self.data_tremolite = Inosilicates(impurity="pure", data_type=True).create_tremolite()
|
|
2961
|
+
|
|
2962
|
+
## Fluids
|
|
2963
|
+
self.data_water = Water.water("")
|
|
2964
|
+
|
|
2965
|
+
def create_amphibolite_ortho(self, number=1, composition=None):
|
|
2966
|
+
results_container = {}
|
|
2967
|
+
results_container["rock"] = "Ortho-Amphibolite"
|
|
2968
|
+
results_container["mineralogy"] = {}
|
|
2969
|
+
results_container["chemistry"] = {}
|
|
2970
|
+
results_container["compounds"] = {}
|
|
2971
|
+
results_container["phi"] = []
|
|
2972
|
+
results_container["fluid"] = self.fluid
|
|
2973
|
+
results_container["rho_s"] = []
|
|
2974
|
+
results_container["rho"] = []
|
|
2975
|
+
results_container["vP"] = []
|
|
2976
|
+
results_container["vS"] = []
|
|
2977
|
+
results_container["vP/vS"] = []
|
|
2978
|
+
results_container["K"] = []
|
|
2979
|
+
results_container["G"] = []
|
|
2980
|
+
results_container["E"] = []
|
|
2981
|
+
results_container["nu"] = []
|
|
2982
|
+
results_container["GR"] = []
|
|
2983
|
+
results_container["PE"] = []
|
|
2984
|
+
|
|
2985
|
+
n = 0
|
|
2986
|
+
while n < number:
|
|
2987
|
+
data_actinolite = Inosilicates(impurity="pure", data_type=True).create_actinolite()
|
|
2988
|
+
data_plagioclase = Tectosilicates(impurity="pure", data_type=True).create_plagioclase()
|
|
2989
|
+
data_biotite = Phyllosilicates(impurity="pure", data_type=True).create_biotite()
|
|
2990
|
+
data_chlorite = Phyllosilicates(impurity="pure", data_type=True).create_chlorite()
|
|
2991
|
+
data_apatite = Phosphates(data_type=True).create_aptite()
|
|
2992
|
+
|
|
2993
|
+
mineralogy = {"Tr": self.data_tremolite, "Act": data_actinolite, "Pl": data_plagioclase, "Bt": data_biotite,
|
|
2994
|
+
"Qz": self.data_quartz, "Chl": data_chlorite, "Ap": data_apatite}
|
|
2995
|
+
|
|
2996
|
+
minerals_list = list(mineralogy.keys())
|
|
2997
|
+
|
|
2998
|
+
if minerals_list[0] not in results_container["mineralogy"]:
|
|
2999
|
+
for mineral in minerals_list:
|
|
3000
|
+
results_container["mineralogy"][mineral] = []
|
|
3001
|
+
|
|
3002
|
+
if self.porosity == None:
|
|
3003
|
+
phi_helper = round(rd.uniform(0.0, 0.1), 4)
|
|
3004
|
+
else:
|
|
3005
|
+
phi_helper = round(rd.uniform(self.porosity[0], self.porosity[1]), 4)
|
|
3006
|
+
|
|
3007
|
+
condition = False
|
|
3008
|
+
|
|
3009
|
+
while condition == False:
|
|
3010
|
+
elements_list = []
|
|
3011
|
+
phi_minerals = {}
|
|
3012
|
+
w_minerals = {}
|
|
3013
|
+
w_elements = {}
|
|
3014
|
+
|
|
3015
|
+
if composition != None:
|
|
3016
|
+
phi_tr = composition["Tr"]
|
|
3017
|
+
phi_act = composition["Act"]
|
|
3018
|
+
phi_pl = composition["Pl"]
|
|
3019
|
+
phi_bt = composition["Bt"]
|
|
3020
|
+
phi_qz = composition["Qz"]
|
|
3021
|
+
phi_chl = composition["Chl"]
|
|
3022
|
+
phi_ap = composition["Ap"]
|
|
3023
|
+
|
|
3024
|
+
phi_minerals["Tr"] = phi_tr
|
|
3025
|
+
phi_minerals["Act"] = phi_act
|
|
3026
|
+
phi_minerals["Pl"] = phi_pl
|
|
3027
|
+
phi_minerals["Bt"] = phi_bt
|
|
3028
|
+
phi_minerals["Qz"] = phi_qz
|
|
3029
|
+
phi_minerals["Chl"] = phi_chl
|
|
3030
|
+
phi_minerals["Ap"] = phi_ap
|
|
3031
|
+
else:
|
|
3032
|
+
condition_2 = False
|
|
3033
|
+
|
|
3034
|
+
while condition_2 == False:
|
|
3035
|
+
phi_tr = round(rd.uniform(0.0, 0.5), 4)
|
|
3036
|
+
phi_act = round(rd.uniform(0.0, (1.0 - phi_tr)), 4)
|
|
3037
|
+
phi_pl = round(rd.uniform(0.15, (1.0 - phi_tr - phi_act)), 4)
|
|
3038
|
+
phi_bt = round(rd.uniform(0.0, (1.0 - phi_tr - phi_act - phi_pl)), 4)
|
|
3039
|
+
phi_qz = round(rd.uniform(0.0, (1.0 - phi_tr - phi_act - phi_pl - phi_bt)), 4)
|
|
3040
|
+
phi_chl = round(rd.uniform(0.0, (1.0 - phi_tr - phi_act - phi_pl - phi_bt - phi_qz)), 4)
|
|
3041
|
+
phi_ap = round(1 - phi_tr - phi_act - phi_pl - phi_bt - phi_qz - phi_chl, 4)
|
|
3042
|
+
phi_total = phi_tr + phi_act + phi_pl + phi_bt + phi_qz + phi_chl + phi_ap
|
|
3043
|
+
|
|
3044
|
+
if np.isclose(phi_total, 1.0000) == True:
|
|
3045
|
+
if (0.0 <= phi_tr <= 0.5 and 0.0 <= phi_act <= 0.5 and 0.15 <= phi_pl <= 0.4
|
|
3046
|
+
and 0.0 <= phi_bt <= 0.2 and 0.0 <= phi_qz <= 0.2 and 0.0 <= phi_chl <= 0.1
|
|
3047
|
+
and 0.0 <= phi_ap <= 0.1):
|
|
3048
|
+
condition_2 = True
|
|
3049
|
+
|
|
3050
|
+
phi_minerals["Tr"] = phi_tr
|
|
3051
|
+
phi_minerals["Act"] = phi_act
|
|
3052
|
+
phi_minerals["Pl"] = phi_pl
|
|
3053
|
+
phi_minerals["Bt"] = phi_bt
|
|
3054
|
+
phi_minerals["Qz"] = phi_qz
|
|
3055
|
+
phi_minerals["Chl"] = phi_chl
|
|
3056
|
+
phi_minerals["Ap"] = phi_ap
|
|
3057
|
+
|
|
3058
|
+
rho_s = 0
|
|
3059
|
+
velocities_minerals = {}
|
|
3060
|
+
for key, value in phi_minerals.items():
|
|
3061
|
+
rho_s += phi_minerals[key]*mineralogy[key]["rho"]
|
|
3062
|
+
|
|
3063
|
+
velocities_minerals[key] = {}
|
|
3064
|
+
velocities_minerals[key]["vP"] = mineralogy[key]["vP"]
|
|
3065
|
+
velocities_minerals[key]["vS"] = mineralogy[key]["vS"]
|
|
3066
|
+
|
|
3067
|
+
for element, value in mineralogy[key]["chemistry"].items():
|
|
3068
|
+
if element not in elements_list:
|
|
3069
|
+
elements_list.append(element)
|
|
3070
|
+
w_elements[element] = 0.0
|
|
3071
|
+
|
|
3072
|
+
if elements_list[0] not in results_container["chemistry"]:
|
|
3073
|
+
for element in elements_list:
|
|
3074
|
+
results_container["chemistry"][element] = []
|
|
3075
|
+
|
|
3076
|
+
rho_s = round(rho_s, 3)
|
|
3077
|
+
|
|
3078
|
+
n_minerals = len(minerals_list)
|
|
3079
|
+
w_minerals_total = 0
|
|
3080
|
+
for index, (key, value) in enumerate(phi_minerals.items()):
|
|
3081
|
+
if key == "Urn":
|
|
3082
|
+
n_digits = 4
|
|
3083
|
+
else:
|
|
3084
|
+
n_digits = 4
|
|
3085
|
+
|
|
3086
|
+
if index < n_minerals - 1:
|
|
3087
|
+
result = round((phi_minerals[key]*mineralogy[key]["rho"])/rho_s, n_digits)
|
|
3088
|
+
w_minerals[key] = result
|
|
3089
|
+
w_minerals_total += result
|
|
3090
|
+
else:
|
|
3091
|
+
w_minerals[key] = round(1 - w_minerals_total, n_digits)
|
|
3092
|
+
|
|
3093
|
+
total_w_minerals = round(sum(w_minerals.values()), 4)
|
|
3094
|
+
|
|
3095
|
+
if self.fluid == "water":
|
|
3096
|
+
data_fluid = self.data_water
|
|
3097
|
+
|
|
3098
|
+
old_index = elements_list.index("O")
|
|
3099
|
+
elements_list += [elements_list.pop(old_index)]
|
|
3100
|
+
|
|
3101
|
+
w_elements_total = 0.0
|
|
3102
|
+
for element in elements_list:
|
|
3103
|
+
if element != "O":
|
|
3104
|
+
for mineral, w_mineral in w_minerals.items():
|
|
3105
|
+
if element in mineralogy[mineral]["chemistry"]:
|
|
3106
|
+
if element == "U":
|
|
3107
|
+
n_digits = 4
|
|
3108
|
+
else:
|
|
3109
|
+
n_digits = 4
|
|
3110
|
+
|
|
3111
|
+
value = round(w_mineral*mineralogy[mineral]["chemistry"][element], n_digits)
|
|
3112
|
+
w_elements[element] += value
|
|
3113
|
+
w_elements_total += value
|
|
3114
|
+
|
|
3115
|
+
w_elements[element] = round(w_elements[element], n_digits)
|
|
3116
|
+
|
|
3117
|
+
elif element == "O":
|
|
3118
|
+
w_elements[element] += round(1 - w_elements_total, 4)
|
|
3119
|
+
w_elements[element] = round(w_elements[element], 4)
|
|
3120
|
+
|
|
3121
|
+
total_w_elements = round(sum(w_elements.values()), 4)
|
|
3122
|
+
|
|
3123
|
+
if np.isclose(total_w_minerals, 1.00) == True and np.isclose(total_w_elements, 1.00) == True:
|
|
3124
|
+
for key, value in w_minerals.items():
|
|
3125
|
+
w_minerals[key] = abs(value)
|
|
3126
|
+
|
|
3127
|
+
for key, value in w_elements.items():
|
|
3128
|
+
w_elements[key] = abs(value)
|
|
3129
|
+
|
|
3130
|
+
condition = True
|
|
3131
|
+
|
|
3132
|
+
gamma_ray = 0.0
|
|
3133
|
+
photoelectricity = 0.0
|
|
3134
|
+
|
|
3135
|
+
K_list = []
|
|
3136
|
+
G_list = []
|
|
3137
|
+
bulk_mod = 0
|
|
3138
|
+
shear_mod = 0
|
|
3139
|
+
phi_list = []
|
|
3140
|
+
for key, value in phi_minerals.items():
|
|
3141
|
+
gamma_ray += phi_minerals[key]*mineralogy[key]["GR"]
|
|
3142
|
+
photoelectricity += phi_minerals[key]*mineralogy[key]["PE"]
|
|
3143
|
+
|
|
3144
|
+
gamma_ray = round(gamma_ray, 3)
|
|
3145
|
+
photoelectricity = round(photoelectricity, 3)
|
|
3146
|
+
|
|
3147
|
+
bulk_mod += phi_minerals[key]*mineralogy[key]["K"]
|
|
3148
|
+
shear_mod += phi_minerals[key]*mineralogy[key]["G"]
|
|
3149
|
+
K_list.append(round(phi_minerals[key]*mineralogy[key]["K"], 3))
|
|
3150
|
+
G_list.append(round(phi_minerals[key]*mineralogy[key]["G"], 3))
|
|
3151
|
+
phi_list.append(phi_minerals[key])
|
|
3152
|
+
|
|
3153
|
+
rho = round((1 - phi_helper)*rho_s + phi_helper*data_fluid[2]/1000, 3)
|
|
3154
|
+
bulk_mod = round(bulk_mod, 3)
|
|
3155
|
+
shear_mod = round(shear_mod, 3)
|
|
3156
|
+
youngs_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 3)
|
|
3157
|
+
poisson_rat = round((3*bulk_mod - 2*shear_mod)/(6*bulk_mod + 2*shear_mod), 4)
|
|
3158
|
+
vP = round(((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(rho))**0.5, 3)
|
|
3159
|
+
vS = round(((shear_mod*10**9)/(rho))**0.5, 3)
|
|
3160
|
+
vPvS = round(vP/vS, 3)
|
|
3161
|
+
|
|
3162
|
+
## RESULTS
|
|
3163
|
+
for key, value in w_minerals.items():
|
|
3164
|
+
results_container["mineralogy"][key].append(value)
|
|
3165
|
+
|
|
3166
|
+
for key, value in w_elements.items():
|
|
3167
|
+
results_container["chemistry"][key].append(value)
|
|
3168
|
+
|
|
3169
|
+
amounts = []
|
|
3170
|
+
for key, value in w_elements.items():
|
|
3171
|
+
results_container["chemistry"][key].append(value)
|
|
3172
|
+
chem_data = PeriodicSystem(name=key).get_data()
|
|
3173
|
+
amounts.append([key, chem_data[1], value])
|
|
3174
|
+
|
|
3175
|
+
list_elements = list(w_elements.keys())
|
|
3176
|
+
list_oxides = OxideCompounds(var_list_elements=list_elements).find_oxides()
|
|
3177
|
+
composition_oxides = {}
|
|
3178
|
+
|
|
3179
|
+
for var_oxide in list_oxides:
|
|
3180
|
+
oxide_data = OxideCompounds(var_compound=var_oxide, var_amounts=amounts).get_composition()
|
|
3181
|
+
composition_oxides[var_oxide] = round(oxide_data["Oxide"][1], 4)
|
|
3182
|
+
|
|
3183
|
+
if list_oxides[0] not in results_container["compounds"]:
|
|
3184
|
+
for oxide in list_oxides:
|
|
3185
|
+
results_container["compounds"][oxide] = []
|
|
3186
|
+
|
|
3187
|
+
for key, value in composition_oxides.items():
|
|
3188
|
+
results_container["compounds"][key].append(value)
|
|
3189
|
+
|
|
3190
|
+
results_container["mineralogy"] = dict(sorted(
|
|
3191
|
+
results_container["mineralogy"].items(), key=lambda item: sum(item[1])/len(item[1]), reverse=True))
|
|
3192
|
+
results_container["chemistry"] = dict(sorted(
|
|
3193
|
+
results_container["chemistry"].items(), key=lambda item: sum(item[1])/len(item[1]), reverse=True))
|
|
3194
|
+
results_container["compounds"] = dict(sorted(
|
|
3195
|
+
results_container["compounds"].items(), key=lambda item: sum(item[1])/len(item[1]), reverse=True))
|
|
3196
|
+
|
|
3197
|
+
results_container["phi"].append(phi_helper)
|
|
3198
|
+
results_container["rho_s"].append(rho_s)
|
|
3199
|
+
results_container["rho"].append(rho)
|
|
3200
|
+
results_container["vP"].append(vP)
|
|
3201
|
+
results_container["vS"].append(vS)
|
|
3202
|
+
results_container["vP/vS"].append(vPvS)
|
|
3203
|
+
results_container["K"].append(bulk_mod)
|
|
3204
|
+
results_container["G"].append(shear_mod)
|
|
3205
|
+
results_container["E"].append(youngs_mod)
|
|
3206
|
+
results_container["nu"].append(poisson_rat)
|
|
3207
|
+
results_container["GR"].append(gamma_ray)
|
|
3208
|
+
results_container["PE"].append(photoelectricity)
|
|
3209
|
+
|
|
3210
|
+
n += 1
|
|
3211
|
+
|
|
3212
|
+
return results_container
|
|
3213
|
+
|
|
3214
|
+
## TEST
|
|
3215
|
+
# print("Test: Granulite")
|
|
3216
|
+
# print(MetamorphicRocks().create_granulite(number=1))
|
|
3217
|
+
# print(MetamorphicRocks().create_granulite(number=10)
|
|
3218
|
+
# print("Test: Greenschist")
|
|
3219
|
+
# print(MetamorphicRocks().create_greenschist(number=1))
|
|
3220
|
+
# print(MetamorphicRocks().create_greenschist(number=10))
|
|
3221
|
+
# print("Test: Amphibolite")
|
|
3222
|
+
# print(MetamorphicRocks().create_amphibolite_ortho(number=1))
|