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
modules/igneous.py
ADDED
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#!/usr/bin/env python
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# -*-coding: utf-8 -*-
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#-----------------------------------------------
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# Name: igneous.py
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# Author: Maximilian A. Beeskow
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# Version: 1.0
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# Date: 10.12.2024
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#-----------------------------------------------
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## MODULES
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import numpy as np
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from numpy import round
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from random import *
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import random as rd
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from modules.chemistry import PeriodicSystem, OxideCompounds
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from modules import minerals, geochemistry, oxides
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from modules import fluids
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from modules.geophysics import Elasticity as elast
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from modules.oxides import Oxides
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from modules.silicates import Tectosilicates, Phyllosilicates, Inosilicates, Nesosilicates
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from modules.fluids import Water, Hydrocarbons
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from modules.petrophysics import SeismicVelocities
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## CLASSES
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class UltraMafic:
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#
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def __init__(self, fluid, actualThickness, dict_output=False, porosity=None):
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self.fluid = fluid
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self.actualThickness = actualThickness
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self.dict_output = dict_output
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self.porosity = porosity
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#
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self.data_qz = Oxides(impurity="pure", data_type=True).create_quartz()
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self.data_water = Water.water("")
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self.data_oil = Hydrocarbons.oil("")
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self.data_gas = Hydrocarbons.natural_gas("")
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#
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def create_ultramafic_rock(self, rock="Granite", number=1, composition=None):
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results_container = {}
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results_container["rock"] = rock
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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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#
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n = 0
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while n < number:
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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_olivine = Nesosilicates(
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mineral="Olivine", data_type=True, traces_list=[]).generate_dataset(
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number=1)
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#
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mineralogy = {"Opx": data_orthopyroxene, "Cpx": data_clinopyroxene, "Ol": data_olivine}
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#
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minerals_list = list(mineralogy.keys())
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#
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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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#
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condition = False
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#
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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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#
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if composition != None:
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phi_opx = composition["Opx"]
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phi_cpx = composition["Cpx"]
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phi_ol = composition["Ol"]
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#
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phi_minerals["Opx"] = phi_opx
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phi_minerals["Cpx"] = phi_cpx
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phi_minerals["Ol"] = phi_ol
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#
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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 rock == "Orthopyroxenite":
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opx_limits = [0.9, 1.0]
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cpx_limits = [0.0, 0.1]
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ol_limits = [0.0, 0.1]
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elif rock == "Clinopyroxenite":
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opx_limits = [0.0, 0.1]
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cpx_limits = [0.9, 1.0]
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ol_limits = [0.0, 0.1]
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elif rock == "Dunite":
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opx_limits = [0.0, 0.1]
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cpx_limits = [0.0, 0.1]
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ol_limits = [0.9, 1.0]
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elif rock == "Harzburgite":
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opx_limits = [0.05, 0.6]
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cpx_limits = [0.0, 0.1]
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ol_limits = [0.4, 0.9]
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elif rock == "Wehrlite":
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opx_limits = [0.0, 0.1]
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cpx_limits = [0.05, 0.6]
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ol_limits = [0.4, 0.9]
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elif rock == "Websterite":
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opx_limits = [0.05, 0.9]
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cpx_limits = [0.05, 0.9]
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ol_limits = [0.0, 0.05]
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elif rock == "Lherzolite":
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opx_limits = [0.05, 0.55]
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|
127
|
+
cpx_limits = [0.05, 0.55]
|
|
128
|
+
ol_limits = [0.4, 0.9]
|
|
129
|
+
elif rock == "Olivine-Websterite":
|
|
130
|
+
opx_limits = [0.05, 0.9]
|
|
131
|
+
cpx_limits = [0.05, 0.9]
|
|
132
|
+
ol_limits = [0.05, 0.4]
|
|
133
|
+
elif rock == "Olivine-Orthopyroxenite":
|
|
134
|
+
opx_limits = [0.55, 0.9]
|
|
135
|
+
cpx_limits = [0.0, 0.05]
|
|
136
|
+
ol_limits = [0.05, 0.4]
|
|
137
|
+
elif rock == "Olivine-Clinopyroxenite":
|
|
138
|
+
opx_limits = [0.0, 0.05]
|
|
139
|
+
cpx_limits = [0.55, 0.9]
|
|
140
|
+
ol_limits = [0.05, 0.4]
|
|
141
|
+
elif rock == "Peridotite":
|
|
142
|
+
opx_limits = [0.0, 0.6]
|
|
143
|
+
cpx_limits = [0.0, 0.6]
|
|
144
|
+
ol_limits = [0.4, 1.0]
|
|
145
|
+
elif rock == "Pyroxenite":
|
|
146
|
+
opx_limits = [0.0, 1.0]
|
|
147
|
+
cpx_limits = [0.0, 1.0]
|
|
148
|
+
ol_limits = [0.0, 0.4]
|
|
149
|
+
#
|
|
150
|
+
phi_opx = round(rd.uniform(opx_limits[0], opx_limits[1]), 4)
|
|
151
|
+
phi_cpx = round(rd.uniform(cpx_limits[0], (1.0 - phi_opx)), 4)
|
|
152
|
+
phi_ol = round(1 - phi_opx - phi_cpx, 4)
|
|
153
|
+
phi_total = phi_opx + phi_cpx + phi_ol
|
|
154
|
+
#
|
|
155
|
+
if np.isclose(phi_total, 1.0000) == True:
|
|
156
|
+
if opx_limits[0] <= phi_opx <= opx_limits[1] \
|
|
157
|
+
and cpx_limits[0] <= phi_cpx <= cpx_limits[1] \
|
|
158
|
+
and ol_limits[0] <= phi_ol <= ol_limits[1]:
|
|
159
|
+
condition_2 = True
|
|
160
|
+
#
|
|
161
|
+
phi_minerals["Opx"] = phi_opx
|
|
162
|
+
phi_minerals["Cpx"] = phi_cpx
|
|
163
|
+
phi_minerals["Ol"] = phi_ol
|
|
164
|
+
#
|
|
165
|
+
rho_s = 0
|
|
166
|
+
for key, value in phi_minerals.items():
|
|
167
|
+
rho_s += phi_minerals[key]*mineralogy[key]["rho"][0]
|
|
168
|
+
for element, value in mineralogy[key]["chemistry"].items():
|
|
169
|
+
if element not in elements_list:
|
|
170
|
+
elements_list.append(element)
|
|
171
|
+
w_elements[element] = 0.0
|
|
172
|
+
#
|
|
173
|
+
if elements_list[0] not in results_container["chemistry"]:
|
|
174
|
+
for element in elements_list:
|
|
175
|
+
results_container["chemistry"][element] = []
|
|
176
|
+
#
|
|
177
|
+
rho_s = round(rho_s, 3)
|
|
178
|
+
for key, value in phi_minerals.items():
|
|
179
|
+
if key == "Urn":
|
|
180
|
+
n_digits = 6
|
|
181
|
+
else:
|
|
182
|
+
n_digits = 6
|
|
183
|
+
#
|
|
184
|
+
w_minerals[key] = round((phi_minerals[key]*mineralogy[key]["rho"][0])/rho_s, n_digits)
|
|
185
|
+
#
|
|
186
|
+
if self.porosity == None:
|
|
187
|
+
var_porosity = round(rd.uniform(0.0, 0.1), 4)
|
|
188
|
+
else:
|
|
189
|
+
var_porosity = round(rd.uniform(self.porosity[0], self.porosity[1]), 4)
|
|
190
|
+
#
|
|
191
|
+
if self.fluid == "water":
|
|
192
|
+
data_fluid = self.data_water
|
|
193
|
+
elif self.fluid == "oil":
|
|
194
|
+
data_fluid = self.data_oil
|
|
195
|
+
elif self.fluid == "gas":
|
|
196
|
+
data_fluid = self.data_gas
|
|
197
|
+
#
|
|
198
|
+
rho = round((1 - var_porosity)*rho_s + var_porosity*data_fluid[2]/1000, 3)
|
|
199
|
+
#
|
|
200
|
+
old_index = elements_list.index("O")
|
|
201
|
+
elements_list += [elements_list.pop(old_index)]
|
|
202
|
+
#
|
|
203
|
+
w_elements_total = 0.0
|
|
204
|
+
for element in elements_list:
|
|
205
|
+
if element != "O":
|
|
206
|
+
for mineral, w_mineral in w_minerals.items():
|
|
207
|
+
if element in mineralogy[mineral]["chemistry"]:
|
|
208
|
+
if element == "U":
|
|
209
|
+
n_digits = 6
|
|
210
|
+
else:
|
|
211
|
+
n_digits = 6
|
|
212
|
+
#
|
|
213
|
+
value = round(w_mineral*mineralogy[mineral]["chemistry"][element][0], n_digits)
|
|
214
|
+
w_elements[element] += value
|
|
215
|
+
w_elements_total += value
|
|
216
|
+
#
|
|
217
|
+
w_elements[element] = round(w_elements[element], n_digits)
|
|
218
|
+
elif element == "O":
|
|
219
|
+
w_elements[element] += round(1 - w_elements_total, 6)
|
|
220
|
+
#
|
|
221
|
+
w_elements[element] = round(w_elements[element], 6)
|
|
222
|
+
#
|
|
223
|
+
if sum(w_minerals.values()) == 1.0 and sum(w_elements.values()) == 1.0:
|
|
224
|
+
for key, value in w_minerals.items():
|
|
225
|
+
w_minerals[key] = abs(value)
|
|
226
|
+
#
|
|
227
|
+
for key, value in w_elements.items():
|
|
228
|
+
w_elements[key] = abs(value)
|
|
229
|
+
#
|
|
230
|
+
condition = True
|
|
231
|
+
#
|
|
232
|
+
bulk_mod = 0.0
|
|
233
|
+
shear_mod = 0.0
|
|
234
|
+
gamma_ray = 0.0
|
|
235
|
+
photoelectricity = 0.0
|
|
236
|
+
#
|
|
237
|
+
K_list = []
|
|
238
|
+
G_list = []
|
|
239
|
+
phi_list = []
|
|
240
|
+
for key, value in phi_minerals.items():
|
|
241
|
+
gamma_ray += phi_minerals[key]*mineralogy[key]["GR"][0]
|
|
242
|
+
photoelectricity += phi_minerals[key]*mineralogy[key]["PE"][0]
|
|
243
|
+
#
|
|
244
|
+
gamma_ray = round(gamma_ray, 3)
|
|
245
|
+
photoelectricity = round(photoelectricity, 3)
|
|
246
|
+
#
|
|
247
|
+
K_list.append(round(phi_minerals[key]*mineralogy[key]["K"][0], 3))
|
|
248
|
+
G_list.append(round(phi_minerals[key]*mineralogy[key]["G"][0], 3))
|
|
249
|
+
phi_list.append(phi_minerals[key])
|
|
250
|
+
#
|
|
251
|
+
K_geo = elast.calc_geometric_mean(self, phi_list, K_list)
|
|
252
|
+
G_geo = elast.calc_geometric_mean(self, phi_list, G_list)
|
|
253
|
+
#
|
|
254
|
+
anisotropic_factor = 1.0
|
|
255
|
+
#
|
|
256
|
+
bulk_mod = K_geo/anisotropic_factor
|
|
257
|
+
shear_mod = G_geo/anisotropic_factor
|
|
258
|
+
#
|
|
259
|
+
youngs_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 3)
|
|
260
|
+
poisson_rat = round((3*bulk_mod - 2*shear_mod)/(6*bulk_mod + 2*shear_mod), 6)
|
|
261
|
+
vP = round(((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(rho))**0.5, 3)
|
|
262
|
+
vS = round(((shear_mod*10**9)/(rho))**0.5, 3)
|
|
263
|
+
vPvS = round(vP/vS, 6)
|
|
264
|
+
# Composition data
|
|
265
|
+
for key, value in w_minerals.items():
|
|
266
|
+
results_container["mineralogy"][key].append(value)
|
|
267
|
+
|
|
268
|
+
amounts = []
|
|
269
|
+
for key, value in w_elements.items():
|
|
270
|
+
results_container["chemistry"][key].append(value)
|
|
271
|
+
chem_data = PeriodicSystem(name=key).get_data()
|
|
272
|
+
amounts.append([key, chem_data[1], value])
|
|
273
|
+
|
|
274
|
+
list_elements = list(w_elements.keys())
|
|
275
|
+
list_oxides = OxideCompounds(var_list_elements=list_elements).find_oxides()
|
|
276
|
+
composition_oxides = {}
|
|
277
|
+
for var_oxide in list_oxides:
|
|
278
|
+
oxide_data = OxideCompounds(var_compound=var_oxide, var_amounts=amounts).get_composition()
|
|
279
|
+
composition_oxides[var_oxide] = round(oxide_data["Oxide"][1], 4)
|
|
280
|
+
|
|
281
|
+
if list_oxides[0] not in results_container["compounds"]:
|
|
282
|
+
for oxide in list_oxides:
|
|
283
|
+
results_container["compounds"][oxide] = []
|
|
284
|
+
|
|
285
|
+
for key, value in composition_oxides.items():
|
|
286
|
+
results_container["compounds"][key].append(value)
|
|
287
|
+
|
|
288
|
+
results_container["mineralogy"] = dict(sorted(
|
|
289
|
+
results_container["mineralogy"].items(), key=lambda item: sum(item[1])/len(item[1]), reverse=True))
|
|
290
|
+
results_container["chemistry"] = dict(sorted(
|
|
291
|
+
results_container["chemistry"].items(), key=lambda item: sum(item[1])/len(item[1]), reverse=True))
|
|
292
|
+
results_container["compounds"] = dict(sorted(
|
|
293
|
+
results_container["compounds"].items(), key=lambda item: sum(item[1])/len(item[1]), reverse=True))
|
|
294
|
+
|
|
295
|
+
# Results
|
|
296
|
+
results_container["phi"].append(var_porosity)
|
|
297
|
+
results_container["rho_s"].append(rho_s)
|
|
298
|
+
results_container["rho"].append(rho)
|
|
299
|
+
results_container["vP"].append(vP)
|
|
300
|
+
results_container["vS"].append(vS)
|
|
301
|
+
results_container["vP/vS"].append(vPvS)
|
|
302
|
+
results_container["K"].append(bulk_mod)
|
|
303
|
+
results_container["G"].append(shear_mod)
|
|
304
|
+
results_container["E"].append(youngs_mod)
|
|
305
|
+
results_container["nu"].append(poisson_rat)
|
|
306
|
+
results_container["GR"].append(gamma_ray)
|
|
307
|
+
results_container["PE"].append(photoelectricity)
|
|
308
|
+
#
|
|
309
|
+
n += 1
|
|
310
|
+
#
|
|
311
|
+
return results_container
|
|
312
|
+
#
|
|
313
|
+
class Plutonic:
|
|
314
|
+
#
|
|
315
|
+
def __init__(self, fluid, actualThickness, dict_output=False, porosity=None):
|
|
316
|
+
self.fluid = fluid
|
|
317
|
+
self.actualThickness = actualThickness
|
|
318
|
+
self.dict_output = dict_output
|
|
319
|
+
self.porosity = porosity
|
|
320
|
+
#
|
|
321
|
+
self.data_qz = Oxides(impurity="pure", data_type=True).create_quartz()
|
|
322
|
+
self.data_water = Water.water("")
|
|
323
|
+
self.data_oil = Hydrocarbons.oil("")
|
|
324
|
+
self.data_gas = Hydrocarbons.natural_gas("")
|
|
325
|
+
#
|
|
326
|
+
def create_granite_streckeisen_alt(self, number=1, composition=None):
|
|
327
|
+
results_container = {}
|
|
328
|
+
results_container["rock"] = "Granite"
|
|
329
|
+
results_container["mineralogy"] = {}
|
|
330
|
+
results_container["chemistry"] = {}
|
|
331
|
+
results_container["phi"] = []
|
|
332
|
+
results_container["fluid"] = "water"
|
|
333
|
+
results_container["rho_s"] = []
|
|
334
|
+
results_container["rho"] = []
|
|
335
|
+
results_container["vP"] = []
|
|
336
|
+
results_container["vS"] = []
|
|
337
|
+
results_container["vP/vS"] = []
|
|
338
|
+
results_container["K"] = []
|
|
339
|
+
results_container["G"] = []
|
|
340
|
+
results_container["E"] = []
|
|
341
|
+
results_container["nu"] = []
|
|
342
|
+
results_container["GR"] = []
|
|
343
|
+
results_container["PE"] = []
|
|
344
|
+
#
|
|
345
|
+
n = 0
|
|
346
|
+
while n < number:
|
|
347
|
+
data_alkalifeldspar = Tectosilicates(impurity="pure", data_type=True).create_alkalifeldspar()
|
|
348
|
+
data_plagioclase = Tectosilicates(impurity="pure", data_type=True).create_plagioclase()
|
|
349
|
+
data_biotite = Phyllosilicates(impurity="pure", data_type=True).create_biotite()
|
|
350
|
+
#
|
|
351
|
+
mineralogy = {"Qz": self.data_qz, "Kfs": data_alkalifeldspar, "Pl": data_plagioclase, "Bt": data_biotite}
|
|
352
|
+
#
|
|
353
|
+
minerals_list = list(mineralogy.keys())
|
|
354
|
+
#
|
|
355
|
+
if minerals_list[0] not in results_container["mineralogy"]:
|
|
356
|
+
for mineral in minerals_list:
|
|
357
|
+
results_container["mineralogy"][mineral] = []
|
|
358
|
+
#
|
|
359
|
+
condition = False
|
|
360
|
+
#
|
|
361
|
+
while condition == False:
|
|
362
|
+
elements_list = []
|
|
363
|
+
phi_minerals = {}
|
|
364
|
+
w_minerals = {}
|
|
365
|
+
w_elements = {}
|
|
366
|
+
#
|
|
367
|
+
if composition != None:
|
|
368
|
+
phi_qz = composition["Qz"]
|
|
369
|
+
phi_kfs = composition["Kfs"]
|
|
370
|
+
phi_pl = composition["Pl"]
|
|
371
|
+
phi_bt = composition["Bt"]
|
|
372
|
+
#
|
|
373
|
+
phi_minerals["Qz"] = phi_qz
|
|
374
|
+
phi_minerals["Kfs"] = phi_kfs
|
|
375
|
+
phi_minerals["Pl"] = phi_pl
|
|
376
|
+
phi_minerals["Bt"] = phi_bt
|
|
377
|
+
#
|
|
378
|
+
else:
|
|
379
|
+
condition_2 = False
|
|
380
|
+
while condition_2 == False:
|
|
381
|
+
phi_qz = round(rd.uniform(0.2, 0.6), 4)
|
|
382
|
+
phi_kfs = round(rd.uniform(0.15, (1.0 - phi_qz)), 4)
|
|
383
|
+
phi_pl = round(rd.uniform(0.0, (1.0 - phi_qz - phi_kfs)), 4)
|
|
384
|
+
phi_bt = round(1 - phi_qz - phi_kfs - phi_pl, 4)
|
|
385
|
+
phi_total = phi_qz + phi_kfs + phi_pl + phi_bt
|
|
386
|
+
#
|
|
387
|
+
if np.isclose(phi_total, 1.0000) == True:
|
|
388
|
+
if 0.2 <= phi_qz <= 0.6 and 0.15 <= phi_kfs <= 0.8 and 0.0 <= phi_pl <= 0.52 \
|
|
389
|
+
and 0.0 <= phi_bt <= 0.05:
|
|
390
|
+
condition_2 = True
|
|
391
|
+
#
|
|
392
|
+
phi_minerals["Qz"] = phi_qz
|
|
393
|
+
phi_minerals["Kfs"] = phi_kfs
|
|
394
|
+
phi_minerals["Pl"] = phi_pl
|
|
395
|
+
phi_minerals["Bt"] = phi_bt
|
|
396
|
+
#
|
|
397
|
+
rho_s = 0
|
|
398
|
+
for key, value in phi_minerals.items():
|
|
399
|
+
rho_s += phi_minerals[key]*mineralogy[key]["rho"]
|
|
400
|
+
for element, value in mineralogy[key]["chemistry"].items():
|
|
401
|
+
if element not in elements_list:
|
|
402
|
+
elements_list.append(element)
|
|
403
|
+
w_elements[element] = 0.0
|
|
404
|
+
#
|
|
405
|
+
if elements_list[0] not in results_container["chemistry"]:
|
|
406
|
+
for element in elements_list:
|
|
407
|
+
results_container["chemistry"][element] = []
|
|
408
|
+
#
|
|
409
|
+
rho_s = round(rho_s, 3)
|
|
410
|
+
for key, value in phi_minerals.items():
|
|
411
|
+
if key == "Urn":
|
|
412
|
+
n_digits = 6
|
|
413
|
+
else:
|
|
414
|
+
n_digits = 6
|
|
415
|
+
#
|
|
416
|
+
w_minerals[key] = round((phi_minerals[key]*mineralogy[key]["rho"])/rho_s, n_digits)
|
|
417
|
+
#
|
|
418
|
+
if self.porosity == None:
|
|
419
|
+
var_porosity = round(rd.uniform(0.0, 0.1), 4)
|
|
420
|
+
else:
|
|
421
|
+
var_porosity = round(rd.uniform(self.porosity[0], self.porosity[1]), 4)
|
|
422
|
+
#
|
|
423
|
+
if self.fluid == "water":
|
|
424
|
+
data_fluid = self.data_water
|
|
425
|
+
elif self.fluid == "oil":
|
|
426
|
+
data_fluid = self.data_oil
|
|
427
|
+
elif self.fluid == "gas":
|
|
428
|
+
data_fluid = self.data_gas
|
|
429
|
+
#
|
|
430
|
+
rho = round((1 - var_porosity)*rho_s + var_porosity*data_fluid[2]/1000, 3)
|
|
431
|
+
#
|
|
432
|
+
old_index = elements_list.index("O")
|
|
433
|
+
elements_list += [elements_list.pop(old_index)]
|
|
434
|
+
#
|
|
435
|
+
w_elements_total = 0.0
|
|
436
|
+
for element in elements_list:
|
|
437
|
+
if element != "O":
|
|
438
|
+
for mineral, w_mineral in w_minerals.items():
|
|
439
|
+
if element in mineralogy[mineral]["chemistry"]:
|
|
440
|
+
if element == "U":
|
|
441
|
+
n_digits = 6
|
|
442
|
+
else:
|
|
443
|
+
n_digits = 6
|
|
444
|
+
#
|
|
445
|
+
value = round(w_mineral*mineralogy[mineral]["chemistry"][element], n_digits)
|
|
446
|
+
w_elements[element] += value
|
|
447
|
+
w_elements_total += value
|
|
448
|
+
#
|
|
449
|
+
w_elements[element] = round(w_elements[element], n_digits)
|
|
450
|
+
elif element == "O":
|
|
451
|
+
w_elements[element] += round(1 - w_elements_total, 6)
|
|
452
|
+
#
|
|
453
|
+
w_elements[element] = round(w_elements[element], 6)
|
|
454
|
+
#
|
|
455
|
+
if sum(w_minerals.values()) == 1.0 and sum(w_elements.values()) == 1.0:
|
|
456
|
+
condition = True
|
|
457
|
+
#
|
|
458
|
+
bulk_mod = 0.0
|
|
459
|
+
shear_mod = 0.0
|
|
460
|
+
gamma_ray = 0.0
|
|
461
|
+
photoelectricity = 0.0
|
|
462
|
+
#
|
|
463
|
+
K_list = []
|
|
464
|
+
G_list = []
|
|
465
|
+
phi_list = []
|
|
466
|
+
for key, value in phi_minerals.items():
|
|
467
|
+
gamma_ray += phi_minerals[key]*mineralogy[key]["GR"]
|
|
468
|
+
photoelectricity += phi_minerals[key]*mineralogy[key]["PE"]
|
|
469
|
+
#
|
|
470
|
+
gamma_ray = round(gamma_ray, 3)
|
|
471
|
+
photoelectricity = round(photoelectricity, 3)
|
|
472
|
+
#
|
|
473
|
+
K_list.append(round(phi_minerals[key]*mineralogy[key]["K"], 3))
|
|
474
|
+
G_list.append(round(phi_minerals[key]*mineralogy[key]["G"], 3))
|
|
475
|
+
phi_list.append(phi_minerals[key])
|
|
476
|
+
#
|
|
477
|
+
K_geo = elast.calc_geometric_mean(self, phi_list, K_list)
|
|
478
|
+
G_geo = elast.calc_geometric_mean(self, phi_list, G_list)
|
|
479
|
+
#
|
|
480
|
+
# anisotropic_factor = round(rd.uniform(1.0, 2.0), 4)
|
|
481
|
+
anisotropic_factor = 1.0
|
|
482
|
+
#
|
|
483
|
+
bulk_mod = K_geo/anisotropic_factor
|
|
484
|
+
shear_mod = G_geo/anisotropic_factor
|
|
485
|
+
#
|
|
486
|
+
youngs_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 3)
|
|
487
|
+
poisson_rat = round((3*bulk_mod - 2*shear_mod)/(6*bulk_mod + 2*shear_mod), 6)
|
|
488
|
+
vP = round(((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(rho))**0.5, 3)
|
|
489
|
+
vS = round(((shear_mod*10**9)/(rho))**0.5, 3)
|
|
490
|
+
vPvS = round(vP/vS, 6)
|
|
491
|
+
#
|
|
492
|
+
for key, value in w_minerals.items():
|
|
493
|
+
results_container["mineralogy"][key].append(value)
|
|
494
|
+
#
|
|
495
|
+
for key, value in w_elements.items():
|
|
496
|
+
results_container["chemistry"][key].append(value)
|
|
497
|
+
#
|
|
498
|
+
results_container["phi"].append(var_porosity)
|
|
499
|
+
results_container["rho_s"].append(rho_s)
|
|
500
|
+
results_container["rho"].append(rho)
|
|
501
|
+
results_container["vP"].append(vP)
|
|
502
|
+
results_container["vS"].append(vS)
|
|
503
|
+
results_container["vP/vS"].append(vPvS)
|
|
504
|
+
results_container["K"].append(bulk_mod)
|
|
505
|
+
results_container["G"].append(shear_mod)
|
|
506
|
+
results_container["E"].append(youngs_mod)
|
|
507
|
+
results_container["nu"].append(poisson_rat)
|
|
508
|
+
results_container["GR"].append(gamma_ray)
|
|
509
|
+
results_container["PE"].append(photoelectricity)
|
|
510
|
+
#
|
|
511
|
+
n += 1
|
|
512
|
+
#
|
|
513
|
+
return results_container
|
|
514
|
+
#
|
|
515
|
+
def create_granodiorite_streckeisen_alt(self, number=1, composition=None):
|
|
516
|
+
results_container = {}
|
|
517
|
+
results_container["rock"] = "Granodiorite"
|
|
518
|
+
results_container["mineralogy"] = {}
|
|
519
|
+
results_container["chemistry"] = {}
|
|
520
|
+
results_container["phi"] = []
|
|
521
|
+
results_container["fluid"] = "water"
|
|
522
|
+
results_container["rho_s"] = []
|
|
523
|
+
results_container["rho"] = []
|
|
524
|
+
results_container["vP"] = []
|
|
525
|
+
results_container["vS"] = []
|
|
526
|
+
results_container["vP/vS"] = []
|
|
527
|
+
results_container["K"] = []
|
|
528
|
+
results_container["G"] = []
|
|
529
|
+
results_container["E"] = []
|
|
530
|
+
results_container["nu"] = []
|
|
531
|
+
results_container["GR"] = []
|
|
532
|
+
results_container["PE"] = []
|
|
533
|
+
#
|
|
534
|
+
n = 0
|
|
535
|
+
while n < number:
|
|
536
|
+
data_alkalifeldspar = Tectosilicates(impurity="pure", data_type=True).create_alkalifeldspar()
|
|
537
|
+
data_plagioclase = Tectosilicates(impurity="pure", data_type=True).create_plagioclase()
|
|
538
|
+
data_biotite = Phyllosilicates(impurity="pure", data_type=True).create_biotite()
|
|
539
|
+
#
|
|
540
|
+
mineralogy = {"Qz": self.data_qz, "Kfs": data_alkalifeldspar, "Pl": data_plagioclase, "Bt": data_biotite}
|
|
541
|
+
#
|
|
542
|
+
minerals_list = list(mineralogy.keys())
|
|
543
|
+
#
|
|
544
|
+
if minerals_list[0] not in results_container["mineralogy"]:
|
|
545
|
+
for mineral in minerals_list:
|
|
546
|
+
results_container["mineralogy"][mineral] = []
|
|
547
|
+
#
|
|
548
|
+
condition = False
|
|
549
|
+
#
|
|
550
|
+
while condition == False:
|
|
551
|
+
elements_list = []
|
|
552
|
+
phi_minerals = {}
|
|
553
|
+
w_minerals = {}
|
|
554
|
+
w_elements = {}
|
|
555
|
+
#
|
|
556
|
+
if composition != None:
|
|
557
|
+
phi_qz = composition["Qz"]
|
|
558
|
+
phi_kfs = composition["Kfs"]
|
|
559
|
+
phi_pl = composition["Pl"]
|
|
560
|
+
phi_bt = composition["Bt"]
|
|
561
|
+
#
|
|
562
|
+
phi_minerals["Qz"] = phi_qz
|
|
563
|
+
phi_minerals["Kfs"] = phi_kfs
|
|
564
|
+
phi_minerals["Pl"] = phi_pl
|
|
565
|
+
phi_minerals["Bt"] = phi_bt
|
|
566
|
+
#
|
|
567
|
+
else:
|
|
568
|
+
condition_2 = False
|
|
569
|
+
while condition_2 == False:
|
|
570
|
+
phi_qz = round(rd.uniform(0.2, 0.6), 4)
|
|
571
|
+
phi_kfs = round(rd.uniform(0.05, (1.0 - phi_qz)), 4)
|
|
572
|
+
phi_pl = round(rd.uniform(0.25 , (1.0 - phi_qz - phi_kfs)), 4)
|
|
573
|
+
phi_bt = round(1 - phi_qz - phi_kfs - phi_pl, 4)
|
|
574
|
+
phi_total = phi_qz + phi_kfs + phi_pl + phi_bt
|
|
575
|
+
#
|
|
576
|
+
if np.isclose(phi_total, 1.0000) == True:
|
|
577
|
+
if 0.2 <= phi_qz <= 0.6 and 0.05 <= phi_kfs <= 0.28 and 0.25 <= phi_pl <= 0.72 \
|
|
578
|
+
and 0.0 <= phi_bt <= 0.05:
|
|
579
|
+
condition_2 = True
|
|
580
|
+
#
|
|
581
|
+
phi_minerals["Qz"] = phi_qz
|
|
582
|
+
phi_minerals["Kfs"] = phi_kfs
|
|
583
|
+
phi_minerals["Pl"] = phi_pl
|
|
584
|
+
phi_minerals["Bt"] = phi_bt
|
|
585
|
+
#
|
|
586
|
+
rho_s = 0
|
|
587
|
+
for key, value in phi_minerals.items():
|
|
588
|
+
rho_s += phi_minerals[key]*mineralogy[key]["rho"]
|
|
589
|
+
for element, value in mineralogy[key]["chemistry"].items():
|
|
590
|
+
if element not in elements_list:
|
|
591
|
+
elements_list.append(element)
|
|
592
|
+
w_elements[element] = 0.0
|
|
593
|
+
#
|
|
594
|
+
if elements_list[0] not in results_container["chemistry"]:
|
|
595
|
+
for element in elements_list:
|
|
596
|
+
results_container["chemistry"][element] = []
|
|
597
|
+
#
|
|
598
|
+
rho_s = round(rho_s, 3)
|
|
599
|
+
for key, value in phi_minerals.items():
|
|
600
|
+
if key == "Urn":
|
|
601
|
+
n_digits = 6
|
|
602
|
+
else:
|
|
603
|
+
n_digits = 6
|
|
604
|
+
#
|
|
605
|
+
w_minerals[key] = round((phi_minerals[key]*mineralogy[key]["rho"])/rho_s, n_digits)
|
|
606
|
+
#
|
|
607
|
+
if self.porosity == None:
|
|
608
|
+
var_porosity = round(rd.uniform(0.0, 0.1), 4)
|
|
609
|
+
else:
|
|
610
|
+
var_porosity = round(rd.uniform(self.porosity[0], self.porosity[1]), 4)
|
|
611
|
+
#
|
|
612
|
+
if self.fluid == "water":
|
|
613
|
+
data_fluid = self.data_water
|
|
614
|
+
elif self.fluid == "oil":
|
|
615
|
+
data_fluid = self.data_oil
|
|
616
|
+
elif self.fluid == "gas":
|
|
617
|
+
data_fluid = self.data_gas
|
|
618
|
+
#
|
|
619
|
+
rho = round((1 - var_porosity)*rho_s + var_porosity*data_fluid[2]/1000, 3)
|
|
620
|
+
#
|
|
621
|
+
old_index = elements_list.index("O")
|
|
622
|
+
elements_list += [elements_list.pop(old_index)]
|
|
623
|
+
#
|
|
624
|
+
w_elements_total = 0.0
|
|
625
|
+
for element in elements_list:
|
|
626
|
+
if element != "O":
|
|
627
|
+
for mineral, w_mineral in w_minerals.items():
|
|
628
|
+
if element in mineralogy[mineral]["chemistry"]:
|
|
629
|
+
if element == "U":
|
|
630
|
+
n_digits = 6
|
|
631
|
+
else:
|
|
632
|
+
n_digits = 6
|
|
633
|
+
#
|
|
634
|
+
value = round(w_mineral*mineralogy[mineral]["chemistry"][element], n_digits)
|
|
635
|
+
w_elements[element] += value
|
|
636
|
+
w_elements_total += value
|
|
637
|
+
#
|
|
638
|
+
w_elements[element] = round(w_elements[element], n_digits)
|
|
639
|
+
elif element == "O":
|
|
640
|
+
w_elements[element] += round(1 - w_elements_total, 6)
|
|
641
|
+
#
|
|
642
|
+
w_elements[element] = round(w_elements[element], 6)
|
|
643
|
+
#
|
|
644
|
+
if sum(w_minerals.values()) == 1.0 and sum(w_elements.values()) == 1.0:
|
|
645
|
+
condition = True
|
|
646
|
+
#
|
|
647
|
+
bulk_mod = 0.0
|
|
648
|
+
shear_mod = 0.0
|
|
649
|
+
gamma_ray = 0.0
|
|
650
|
+
photoelectricity = 0.0
|
|
651
|
+
#
|
|
652
|
+
K_list = []
|
|
653
|
+
G_list = []
|
|
654
|
+
phi_list = []
|
|
655
|
+
for key, value in phi_minerals.items():
|
|
656
|
+
gamma_ray += phi_minerals[key]*mineralogy[key]["GR"]
|
|
657
|
+
photoelectricity += phi_minerals[key]*mineralogy[key]["PE"]
|
|
658
|
+
#
|
|
659
|
+
gamma_ray = round(gamma_ray, 3)
|
|
660
|
+
photoelectricity = round(photoelectricity, 3)
|
|
661
|
+
#
|
|
662
|
+
K_list.append(round(phi_minerals[key]*mineralogy[key]["K"], 3))
|
|
663
|
+
G_list.append(round(phi_minerals[key]*mineralogy[key]["G"], 3))
|
|
664
|
+
phi_list.append(phi_minerals[key])
|
|
665
|
+
#
|
|
666
|
+
K_geo = elast.calc_geometric_mean(self, phi_list, K_list)
|
|
667
|
+
G_geo = elast.calc_geometric_mean(self, phi_list, G_list)
|
|
668
|
+
#
|
|
669
|
+
# anisotropic_factor = round(rd.uniform(1.0, 2.0), 4)
|
|
670
|
+
anisotropic_factor = 1.0
|
|
671
|
+
#
|
|
672
|
+
bulk_mod = K_geo/anisotropic_factor
|
|
673
|
+
shear_mod = G_geo/anisotropic_factor
|
|
674
|
+
#
|
|
675
|
+
youngs_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 3)
|
|
676
|
+
poisson_rat = round((3*bulk_mod - 2*shear_mod)/(6*bulk_mod + 2*shear_mod), 6)
|
|
677
|
+
vP = round(((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(rho))**0.5, 3)
|
|
678
|
+
vS = round(((shear_mod*10**9)/(rho))**0.5, 3)
|
|
679
|
+
vPvS = round(vP/vS, 6)
|
|
680
|
+
#
|
|
681
|
+
for key, value in w_minerals.items():
|
|
682
|
+
results_container["mineralogy"][key].append(value)
|
|
683
|
+
#
|
|
684
|
+
for key, value in w_elements.items():
|
|
685
|
+
results_container["chemistry"][key].append(value)
|
|
686
|
+
#
|
|
687
|
+
results_container["phi"].append(var_porosity)
|
|
688
|
+
results_container["rho_s"].append(rho_s)
|
|
689
|
+
results_container["rho"].append(rho)
|
|
690
|
+
results_container["vP"].append(vP)
|
|
691
|
+
results_container["vS"].append(vS)
|
|
692
|
+
results_container["vP/vS"].append(vPvS)
|
|
693
|
+
results_container["K"].append(bulk_mod)
|
|
694
|
+
results_container["G"].append(shear_mod)
|
|
695
|
+
results_container["E"].append(youngs_mod)
|
|
696
|
+
results_container["nu"].append(poisson_rat)
|
|
697
|
+
results_container["GR"].append(gamma_ray)
|
|
698
|
+
results_container["PE"].append(photoelectricity)
|
|
699
|
+
#
|
|
700
|
+
n += 1
|
|
701
|
+
#
|
|
702
|
+
return results_container
|
|
703
|
+
#
|
|
704
|
+
def create_plutonic_rock_streckeisen(self, rock="Granite", number=1, composition=None, enrichment_kfs=None,
|
|
705
|
+
enrichment_pl=None, upper_streckeisen=True, porosity=None):
|
|
706
|
+
results_container = {}
|
|
707
|
+
results_container["rock"] = rock
|
|
708
|
+
results_container["mineralogy"] = {}
|
|
709
|
+
results_container["chemistry"] = {}
|
|
710
|
+
results_container["compounds"] = {}
|
|
711
|
+
results_container["phi"] = []
|
|
712
|
+
results_container["fluid"] = self.fluid
|
|
713
|
+
results_container["rho_s"] = []
|
|
714
|
+
results_container["rho"] = []
|
|
715
|
+
results_container["vP"] = []
|
|
716
|
+
results_container["vS"] = []
|
|
717
|
+
results_container["vP/vS"] = []
|
|
718
|
+
results_container["K"] = []
|
|
719
|
+
results_container["G"] = []
|
|
720
|
+
results_container["E"] = []
|
|
721
|
+
results_container["nu"] = []
|
|
722
|
+
results_container["GR"] = []
|
|
723
|
+
results_container["PE"] = []
|
|
724
|
+
#
|
|
725
|
+
n = 0
|
|
726
|
+
while n < number:
|
|
727
|
+
data_alkalifeldspar = Tectosilicates(impurity="pure", data_type=True).create_alkalifeldspar(
|
|
728
|
+
enrichment=enrichment_kfs)
|
|
729
|
+
data_plagioclase = Tectosilicates(impurity="pure", data_type=True).create_plagioclase(
|
|
730
|
+
enrichment=enrichment_pl)
|
|
731
|
+
data_biotite = Phyllosilicates(impurity="pure", data_type=True).create_biotite()
|
|
732
|
+
#
|
|
733
|
+
if upper_streckeisen == True:
|
|
734
|
+
mineralogy = {"Qz": self.data_qz, "Kfs": data_alkalifeldspar, "Pl": data_plagioclase,
|
|
735
|
+
"Bt": data_biotite}
|
|
736
|
+
elif upper_streckeisen == False:
|
|
737
|
+
data_nepheline = Tectosilicates(impurity="pure", data_type=True).create_nepheline()
|
|
738
|
+
mineralogy = {"Nph": data_nepheline, "Kfs": data_alkalifeldspar, "Pl": data_plagioclase,
|
|
739
|
+
"Bt": data_biotite}
|
|
740
|
+
#
|
|
741
|
+
minerals_list = list(mineralogy.keys())
|
|
742
|
+
#
|
|
743
|
+
if minerals_list[0] not in results_container["mineralogy"]:
|
|
744
|
+
for mineral in minerals_list:
|
|
745
|
+
results_container["mineralogy"][mineral] = []
|
|
746
|
+
#
|
|
747
|
+
condition = False
|
|
748
|
+
#
|
|
749
|
+
while condition == False:
|
|
750
|
+
elements_list = []
|
|
751
|
+
phi_minerals = {}
|
|
752
|
+
w_minerals = {}
|
|
753
|
+
w_elements = {}
|
|
754
|
+
#
|
|
755
|
+
if composition != None:
|
|
756
|
+
if upper_streckeisen == True:
|
|
757
|
+
phi_qz = composition["Qz"]
|
|
758
|
+
phi_minerals["Qz"] = phi_qz
|
|
759
|
+
elif upper_streckeisen == False:
|
|
760
|
+
phi_nph = composition["Nph"]
|
|
761
|
+
phi_minerals["Nph"] = phi_nph
|
|
762
|
+
#
|
|
763
|
+
phi_kfs = composition["Kfs"]
|
|
764
|
+
phi_pl = composition["Pl"]
|
|
765
|
+
phi_bt = composition["Bt"]
|
|
766
|
+
#
|
|
767
|
+
phi_minerals["Kfs"] = phi_kfs
|
|
768
|
+
phi_minerals["Pl"] = phi_pl
|
|
769
|
+
phi_minerals["Bt"] = phi_bt
|
|
770
|
+
#
|
|
771
|
+
else:
|
|
772
|
+
condition_2 = False
|
|
773
|
+
while condition_2 == False:
|
|
774
|
+
#
|
|
775
|
+
## UPPER STRECKEISEN DIAGRAM
|
|
776
|
+
#
|
|
777
|
+
if rock == "Granite":
|
|
778
|
+
qz_limits = [0.2, 0.6]
|
|
779
|
+
kfs_limits = [0.15, 0.8]
|
|
780
|
+
pl_limits = [0.0, 0.52]
|
|
781
|
+
bt_limits = [0.0, 0.05]
|
|
782
|
+
elif rock == "Granodiorite":
|
|
783
|
+
qz_limits = [0.2, 0.6]
|
|
784
|
+
kfs_limits = [0.05, 0.28]
|
|
785
|
+
pl_limits = [0.25, 0.72]
|
|
786
|
+
bt_limits = [0.0, 0.05]
|
|
787
|
+
elif rock == "Tonalite":
|
|
788
|
+
qz_limits = [0.2, 0.6]
|
|
789
|
+
kfs_limits = [0.0, 0.08]
|
|
790
|
+
pl_limits = [0.35, 0.8]
|
|
791
|
+
bt_limits = [0.0, 0.05]
|
|
792
|
+
elif rock == "Monzodiorite":
|
|
793
|
+
qz_limits = [0.0, 0.2]
|
|
794
|
+
kfs_limits = [0.0, 0.35]
|
|
795
|
+
pl_limits = [0.52, 1.0]
|
|
796
|
+
bt_limits = [0.0, 0.05]
|
|
797
|
+
elif rock == "Monzogabbro":
|
|
798
|
+
qz_limits = [0.0, 0.2]
|
|
799
|
+
kfs_limits = [0.08, 0.35]
|
|
800
|
+
pl_limits = [0.52, 0.9]
|
|
801
|
+
bt_limits = [0.0, 0.05]
|
|
802
|
+
elif rock == "Gabbro":
|
|
803
|
+
qz_limits = [0.0, 0.2]
|
|
804
|
+
kfs_limits = [0.0, 0.1]
|
|
805
|
+
pl_limits = [0.72, 1.0]
|
|
806
|
+
bt_limits = [0.0, 0.05]
|
|
807
|
+
elif rock == "Diorite":
|
|
808
|
+
qz_limits = [0.0, 0.2]
|
|
809
|
+
kfs_limits = [0.0, 0.1]
|
|
810
|
+
pl_limits = [0.72, 1.0]
|
|
811
|
+
bt_limits = [0.0, 0.05]
|
|
812
|
+
elif rock == "Monzonite":
|
|
813
|
+
qz_limits = [0.0, 0.2]
|
|
814
|
+
kfs_limits = [0.28, 0.65]
|
|
815
|
+
pl_limits = [0.28, 0.65]
|
|
816
|
+
bt_limits = [0.0, 0.05]
|
|
817
|
+
elif rock == "Syenite":
|
|
818
|
+
qz_limits = [0.0, 0.2]
|
|
819
|
+
kfs_limits = [0.52, 1.0]
|
|
820
|
+
pl_limits = [0.0, 0.35]
|
|
821
|
+
bt_limits = [0.0, 0.05]
|
|
822
|
+
elif rock == "Granitoid":
|
|
823
|
+
qz_limits = [0.6, 0.9]
|
|
824
|
+
kfs_limits = [0.0, 0.4]
|
|
825
|
+
pl_limits = [0.0, 0.4]
|
|
826
|
+
bt_limits = [0.0, 0.05]
|
|
827
|
+
elif rock == "Quarzolite":
|
|
828
|
+
qz_limits = [0.9, 1.0]
|
|
829
|
+
kfs_limits = [0.0, 0.1]
|
|
830
|
+
pl_limits = [0.0, 0.1]
|
|
831
|
+
bt_limits = [0.0, 0.05]
|
|
832
|
+
elif rock == "Norite":
|
|
833
|
+
qz_limits = [0.0, 0.2]
|
|
834
|
+
kfs_limits = [0.0, 0.1]
|
|
835
|
+
pl_limits = [0.72, 1.0]
|
|
836
|
+
bt_limits = [0.0, 0.05]
|
|
837
|
+
#
|
|
838
|
+
## LOWER STRECKEISEN DIAGRAM
|
|
839
|
+
#
|
|
840
|
+
elif rock == "Foid-bearing Syenite":
|
|
841
|
+
upper_streckeisen = False
|
|
842
|
+
nph_limits = [0.0, 0.1]
|
|
843
|
+
kfs_limits = [0.58, 1.0]
|
|
844
|
+
pl_limits = [0.0, 0.42]
|
|
845
|
+
bt_limits = [0.0, 0.05]
|
|
846
|
+
elif rock == "Foid-bearing Monzonite":
|
|
847
|
+
upper_streckeisen = False
|
|
848
|
+
nph_limits = [0.0, 0.1]
|
|
849
|
+
kfs_limits = [0.32, 0.65]
|
|
850
|
+
pl_limits = [0.32, 0.65]
|
|
851
|
+
bt_limits = [0.0, 0.05]
|
|
852
|
+
elif rock == "Foid-bearing Monzodiorite":
|
|
853
|
+
upper_streckeisen = False
|
|
854
|
+
nph_limits = [0.0, 0.1]
|
|
855
|
+
kfs_limits = [0.0, 0.35]
|
|
856
|
+
pl_limits = [0.58, 1.0]
|
|
857
|
+
bt_limits = [0.0, 0.05]
|
|
858
|
+
elif rock == "Foid-bearing Monzogabbro":
|
|
859
|
+
upper_streckeisen = False
|
|
860
|
+
nph_limits = [0.0, 0.1]
|
|
861
|
+
kfs_limits = [0.0, 0.35]
|
|
862
|
+
pl_limits = [0.58, 1.0]
|
|
863
|
+
bt_limits = [0.0, 0.05]
|
|
864
|
+
elif rock == "Foid Monzosyenite":
|
|
865
|
+
upper_streckeisen = False
|
|
866
|
+
nph_limits = [0.1, 0.6]
|
|
867
|
+
kfs_limits = [0.2, 0.9]
|
|
868
|
+
pl_limits = [0.0, 0.45]
|
|
869
|
+
bt_limits = [0.0, 0.05]
|
|
870
|
+
elif rock == "Foid Monzodiorite":
|
|
871
|
+
upper_streckeisen = False
|
|
872
|
+
nph_limits = [0.1, 0.6]
|
|
873
|
+
kfs_limits = [0.0, 0.45]
|
|
874
|
+
pl_limits = [0.2, 0.9]
|
|
875
|
+
bt_limits = [0.0, 0.05]
|
|
876
|
+
elif rock == "Foid Monzogabbro":
|
|
877
|
+
upper_streckeisen = False
|
|
878
|
+
nph_limits = [0.1, 0.6]
|
|
879
|
+
kfs_limits = [0.0, 0.45]
|
|
880
|
+
pl_limits = [0.2, 0.9]
|
|
881
|
+
bt_limits = [0.0, 0.05]
|
|
882
|
+
elif rock == "Foidolite":
|
|
883
|
+
upper_streckeisen = False
|
|
884
|
+
nph_limits = [0.6, 1.0]
|
|
885
|
+
kfs_limits = [0.0, 0.4]
|
|
886
|
+
pl_limits = [0.0, 0.4]
|
|
887
|
+
bt_limits = [0.0, 0.05]
|
|
888
|
+
|
|
889
|
+
if upper_streckeisen == True:
|
|
890
|
+
phi_qz = round(rd.uniform(qz_limits[0], qz_limits[1]), 4)
|
|
891
|
+
phi_kfs = round(rd.uniform(kfs_limits[0], (1.0 - phi_qz)), 4)
|
|
892
|
+
phi_pl = round(rd.uniform(0.0, (1.0 - phi_qz - phi_kfs)), 4)
|
|
893
|
+
phi_bt = round(1 - phi_qz - phi_kfs - phi_pl, 4)
|
|
894
|
+
phi_total = phi_qz + phi_kfs + phi_pl + phi_bt
|
|
895
|
+
#
|
|
896
|
+
if np.isclose(phi_total, 1.0000) == True:
|
|
897
|
+
if qz_limits[0] <= phi_qz <= qz_limits[1] \
|
|
898
|
+
and kfs_limits[0] <= phi_kfs <= kfs_limits[1] \
|
|
899
|
+
and pl_limits[0] <= phi_pl <= pl_limits[1] \
|
|
900
|
+
and bt_limits[0] <= phi_bt <= bt_limits[1]:
|
|
901
|
+
condition_2 = True
|
|
902
|
+
#
|
|
903
|
+
elif upper_streckeisen == False:
|
|
904
|
+
phi_nph = round(rd.uniform(nph_limits[0], nph_limits[1]), 4)
|
|
905
|
+
phi_kfs = round(rd.uniform(kfs_limits[0], (1.0 - phi_nph)), 4)
|
|
906
|
+
phi_pl = round(rd.uniform(0.0, (1.0 - phi_nph - phi_kfs)), 4)
|
|
907
|
+
phi_bt = round(1 - phi_nph - phi_kfs - phi_pl, 4)
|
|
908
|
+
phi_total = phi_nph + phi_kfs + phi_pl + phi_bt
|
|
909
|
+
#
|
|
910
|
+
if np.isclose(phi_total, 1.0000) == True:
|
|
911
|
+
if nph_limits[0] <= phi_nph <= nph_limits[1] \
|
|
912
|
+
and kfs_limits[0] <= phi_kfs <= kfs_limits[1] \
|
|
913
|
+
and pl_limits[0] <= phi_pl <= pl_limits[1] \
|
|
914
|
+
and bt_limits[0] <= phi_bt <= bt_limits[1]:
|
|
915
|
+
condition_2 = True
|
|
916
|
+
#
|
|
917
|
+
if upper_streckeisen == True:
|
|
918
|
+
phi_minerals["Qz"] = phi_qz
|
|
919
|
+
elif upper_streckeisen == False:
|
|
920
|
+
phi_minerals["Nph"] = phi_nph
|
|
921
|
+
#
|
|
922
|
+
phi_minerals["Kfs"] = phi_kfs
|
|
923
|
+
phi_minerals["Pl"] = phi_pl
|
|
924
|
+
phi_minerals["Bt"] = phi_bt
|
|
925
|
+
#
|
|
926
|
+
rho_s = 0
|
|
927
|
+
for key, value in phi_minerals.items():
|
|
928
|
+
rho_s += phi_minerals[key]*mineralogy[key]["rho"]
|
|
929
|
+
for element, value in mineralogy[key]["chemistry"].items():
|
|
930
|
+
if element not in elements_list:
|
|
931
|
+
elements_list.append(element)
|
|
932
|
+
w_elements[element] = 0.0
|
|
933
|
+
#
|
|
934
|
+
if elements_list[0] not in results_container["chemistry"]:
|
|
935
|
+
for element in elements_list:
|
|
936
|
+
results_container["chemistry"][element] = []
|
|
937
|
+
#
|
|
938
|
+
rho_s = round(rho_s, 3)
|
|
939
|
+
for key, value in phi_minerals.items():
|
|
940
|
+
if key == "Urn":
|
|
941
|
+
n_digits = 6
|
|
942
|
+
else:
|
|
943
|
+
n_digits = 6
|
|
944
|
+
#
|
|
945
|
+
w_minerals[key] = round((phi_minerals[key]*mineralogy[key]["rho"])/rho_s, n_digits)
|
|
946
|
+
#
|
|
947
|
+
if self.porosity == None:
|
|
948
|
+
var_porosity = round(rd.uniform(0.0, 0.1), 4)
|
|
949
|
+
else:
|
|
950
|
+
var_porosity = round(rd.uniform(self.porosity[0], self.porosity[1]), 4)
|
|
951
|
+
#
|
|
952
|
+
if self.fluid == "water":
|
|
953
|
+
data_fluid = self.data_water
|
|
954
|
+
elif self.fluid == "oil":
|
|
955
|
+
data_fluid = self.data_oil
|
|
956
|
+
elif self.fluid == "gas":
|
|
957
|
+
data_fluid = self.data_gas
|
|
958
|
+
#
|
|
959
|
+
rho = round((1 - var_porosity)*rho_s + var_porosity*data_fluid[2]/1000, 3)
|
|
960
|
+
#
|
|
961
|
+
old_index = elements_list.index("O")
|
|
962
|
+
elements_list += [elements_list.pop(old_index)]
|
|
963
|
+
#
|
|
964
|
+
w_elements_total = 0.0
|
|
965
|
+
for element in elements_list:
|
|
966
|
+
if element != "O":
|
|
967
|
+
for mineral, w_mineral in w_minerals.items():
|
|
968
|
+
if element in mineralogy[mineral]["chemistry"]:
|
|
969
|
+
if element == "U":
|
|
970
|
+
n_digits = 6
|
|
971
|
+
else:
|
|
972
|
+
n_digits = 6
|
|
973
|
+
#
|
|
974
|
+
value = round(w_mineral*mineralogy[mineral]["chemistry"][element], n_digits)
|
|
975
|
+
w_elements[element] += value
|
|
976
|
+
w_elements_total += value
|
|
977
|
+
#
|
|
978
|
+
w_elements[element] = round(w_elements[element], n_digits)
|
|
979
|
+
elif element == "O":
|
|
980
|
+
w_elements[element] += round(1 - w_elements_total, 6)
|
|
981
|
+
#
|
|
982
|
+
w_elements[element] = round(w_elements[element], 6)
|
|
983
|
+
#
|
|
984
|
+
if sum(w_minerals.values()) == 1.0 and sum(w_elements.values()) == 1.0:
|
|
985
|
+
for key, value in w_minerals.items():
|
|
986
|
+
w_minerals[key] = abs(value)
|
|
987
|
+
#
|
|
988
|
+
for key, value in w_elements.items():
|
|
989
|
+
w_elements[key] = abs(value)
|
|
990
|
+
#
|
|
991
|
+
condition = True
|
|
992
|
+
#
|
|
993
|
+
gamma_ray = 0.0
|
|
994
|
+
photoelectricity = 0.0
|
|
995
|
+
#
|
|
996
|
+
for key, value in phi_minerals.items():
|
|
997
|
+
gamma_ray += phi_minerals[key]*mineralogy[key]["GR"]
|
|
998
|
+
photoelectricity += phi_minerals[key]*mineralogy[key]["PE"]
|
|
999
|
+
#
|
|
1000
|
+
## Bulk Density, Porosity, Seismic Velocities
|
|
1001
|
+
rho_solid = round(rho_s, 3)
|
|
1002
|
+
vP, vS, vPvS, rho, var_porosity = SeismicVelocities(
|
|
1003
|
+
rho_solid=rho_solid, rho_fluid=self.data_water[2]).calculate_seismic_velocities(
|
|
1004
|
+
rho_limits=[2500, 3000], vP_limits=[6000, 7500], vS_limits=[3500, 4000], delta=0.05,
|
|
1005
|
+
porosity=porosity)
|
|
1006
|
+
#
|
|
1007
|
+
## Elastic Parameters
|
|
1008
|
+
bulk_modulus, shear_modulus, youngs_modulus, poisson_ratio = SeismicVelocities(
|
|
1009
|
+
rho_solid=None, rho_fluid=None).calculate_elastic_properties(
|
|
1010
|
+
rho=rho, vP=vP, vS=vS)
|
|
1011
|
+
#
|
|
1012
|
+
## Gamma Ray
|
|
1013
|
+
gamma_ray = round(gamma_ray, 3)
|
|
1014
|
+
## Photoelectricity
|
|
1015
|
+
photoelectricity = round(photoelectricity, 3)
|
|
1016
|
+
# Composition data
|
|
1017
|
+
for key, value in w_minerals.items():
|
|
1018
|
+
results_container["mineralogy"][key].append(value)
|
|
1019
|
+
|
|
1020
|
+
amounts = []
|
|
1021
|
+
for key, value in w_elements.items():
|
|
1022
|
+
results_container["chemistry"][key].append(value)
|
|
1023
|
+
chem_data = PeriodicSystem(name=key).get_data()
|
|
1024
|
+
amounts.append([key, chem_data[1], value])
|
|
1025
|
+
|
|
1026
|
+
list_elements = list(w_elements.keys())
|
|
1027
|
+
list_oxides = OxideCompounds(var_list_elements=list_elements).find_oxides()
|
|
1028
|
+
composition_oxides = {}
|
|
1029
|
+
for var_oxide in list_oxides:
|
|
1030
|
+
oxide_data = OxideCompounds(var_compound=var_oxide, var_amounts=amounts).get_composition()
|
|
1031
|
+
composition_oxides[var_oxide] = round(oxide_data["Oxide"][1], 4)
|
|
1032
|
+
|
|
1033
|
+
if list_oxides[0] not in results_container["compounds"]:
|
|
1034
|
+
for oxide in list_oxides:
|
|
1035
|
+
results_container["compounds"][oxide] = []
|
|
1036
|
+
|
|
1037
|
+
for key, value in composition_oxides.items():
|
|
1038
|
+
results_container["compounds"][key].append(value)
|
|
1039
|
+
|
|
1040
|
+
results_container["mineralogy"] = dict(sorted(
|
|
1041
|
+
results_container["mineralogy"].items(), key=lambda item: sum(item[1])/len(item[1]), reverse=True))
|
|
1042
|
+
results_container["chemistry"] = dict(sorted(
|
|
1043
|
+
results_container["chemistry"].items(), key=lambda item: sum(item[1])/len(item[1]), reverse=True))
|
|
1044
|
+
results_container["compounds"] = dict(sorted(
|
|
1045
|
+
results_container["compounds"].items(), key=lambda item: sum(item[1])/len(item[1]), reverse=True))
|
|
1046
|
+
|
|
1047
|
+
# Results
|
|
1048
|
+
results_container["phi"].append(var_porosity)
|
|
1049
|
+
results_container["rho_s"].append(rho_s)
|
|
1050
|
+
results_container["rho"].append(rho)
|
|
1051
|
+
results_container["vP"].append(vP)
|
|
1052
|
+
results_container["vS"].append(vS)
|
|
1053
|
+
results_container["vP/vS"].append(vPvS)
|
|
1054
|
+
results_container["K"].append(bulk_modulus)
|
|
1055
|
+
results_container["G"].append(shear_modulus)
|
|
1056
|
+
results_container["E"].append(youngs_modulus)
|
|
1057
|
+
results_container["nu"].append(poisson_ratio)
|
|
1058
|
+
results_container["GR"].append(gamma_ray)
|
|
1059
|
+
results_container["PE"].append(photoelectricity)
|
|
1060
|
+
#
|
|
1061
|
+
n += 1
|
|
1062
|
+
#
|
|
1063
|
+
return results_container
|
|
1064
|
+
|
|
1065
|
+
def create_felsic(self, w_Na=None, w_Mg=None, w_K=None, w_Ca=None, w_Fe = None, amounts=None):
|
|
1066
|
+
#
|
|
1067
|
+
self.w_Na = w_Na
|
|
1068
|
+
self.w_Mg = w_Mg
|
|
1069
|
+
self.w_K = w_K
|
|
1070
|
+
self.w_Ca = w_Ca
|
|
1071
|
+
self.w_Fe = w_Fe
|
|
1072
|
+
self.amounts = amounts
|
|
1073
|
+
#
|
|
1074
|
+
# Mineralogy + Fluids
|
|
1075
|
+
quartz = minerals.oxides.quartz("")
|
|
1076
|
+
alkalifeldspar = minerals.feldspars.alkalifeldspar(self, "K")
|
|
1077
|
+
plagioclase = minerals.feldspars.plagioclase(self, "Na")
|
|
1078
|
+
biotite = minerals.Biotites.biotite_group(self, "Biotite")
|
|
1079
|
+
muscovite = minerals.phyllosilicates.muscovite("")
|
|
1080
|
+
amphibole = minerals.inosilicates.amphibole_na("")
|
|
1081
|
+
mineralogy = [quartz, alkalifeldspar, plagioclase, biotite, muscovite, amphibole]
|
|
1082
|
+
water = fluids.Water.water("")
|
|
1083
|
+
#
|
|
1084
|
+
data = []
|
|
1085
|
+
#
|
|
1086
|
+
cond = False
|
|
1087
|
+
composition = []
|
|
1088
|
+
while cond == False:
|
|
1089
|
+
if self.w_Na == None and self.w_Mg == None and self.w_K == None and self.w_Ca == None and self.w_Fe == None and self.amounts == None:
|
|
1090
|
+
x = rd.uniform(0.0, 1.0)
|
|
1091
|
+
phi_qz = round(abs(-24.95*x**3 + 50.32*x**2 - 21.44*x + 96 - (574.08*x**5 - 1466.01*x**4 + 1220.19*x**3 - 285.57*x**2 - 33.17*x + 82))/100, 4)
|
|
1092
|
+
phi_kfs = round(abs(574.08*x**5 - 1466.01*x**4 + 1220.19*x**3 - 285.57*x**2 - 33.17*x + 82 - (45.95*x**3 - 0.2*x**2 + 24.45*x + 13.4))/100, 4)
|
|
1093
|
+
phi_pl = round(abs(45.95*x**3 - 0.2*x**2 + 24.45*x + 13.4 - (-23.27*x**3 + 54.32*x**2 + 0.37*x))/100, 4)
|
|
1094
|
+
phi_bt = round(abs(-23.27*x**3 + 54.32*x**2 + 0.37*x - (1.9*x**3 + 17.13*x**2 + 2.24*x))/100, 4)
|
|
1095
|
+
phi_ms = round(abs(100 - (-24.95*x**3 + 50.32*x**2 - 21.44*x + 96))/100, 4)
|
|
1096
|
+
phi_amph = round(abs(1.9*x**3 + 17.13*x**2 + 2.24*x)/100, 4)
|
|
1097
|
+
m_total = phi_qz*quartz[2] + phi_kfs*alkalifeldspar[2] + phi_pl*plagioclase[2] + phi_bt*biotite[2] + phi_ms*muscovite[2] + phi_amph*amphibole[2]
|
|
1098
|
+
w_qz = round(phi_qz*quartz[2]/m_total, 4)
|
|
1099
|
+
w_kfs = round(phi_kfs*alkalifeldspar[2]/m_total, 4)
|
|
1100
|
+
w_pl = round(phi_pl*plagioclase[2]/m_total, 4)
|
|
1101
|
+
w_bt = round(phi_bt*biotite[2]/m_total, 4)
|
|
1102
|
+
w_ms = round(phi_ms*muscovite[2]/m_total, 4)
|
|
1103
|
+
w_amph = round(phi_amph*amphibole[2]/m_total, 4)
|
|
1104
|
+
elif self.w_Na != None:
|
|
1105
|
+
w_kfs = round(abs(574.08*x**5 - 1466.01*x**4 + 1220.19*x**3 - 285.57*x**2 - 33.17*x + 82 - (45.95*x**3 - 0.2*x**2 + 24.45*x + 13.4))/100, 4)
|
|
1106
|
+
w_pl = round(abs(45.95*x**3 - 0.2*x**2 + 24.45*x + 13.4 - (-23.27*x**3 + 54.32*x**2 + 0.37*x))/100, 4)
|
|
1107
|
+
w_amph = round((self.w_Na - w_kfs*alkalifeldspar[6][1] - w_pl*plagioclase[6][1])/(amphibole[6][2]), 4)
|
|
1108
|
+
w_qz = round(abs(-24.95*x**3 + 50.32*x**2 - 21.44*x + 96 - (574.08*x**5 - 1466.01*x**4 + 1220.19*x**3 - 285.57*x**2 - 33.17*x + 82))/100, 4)
|
|
1109
|
+
w_bt = round(abs(-23.27*x**3 + 54.32*x**2 + 0.37*x - (1.9*x**3 + 17.13*x**2 + 2.24*x))/100, 4)
|
|
1110
|
+
w_ms = round(1-w_qz-w_kfs-w_pl-w_bt-w_amph, 4)
|
|
1111
|
+
elif self.w_Mg != None:
|
|
1112
|
+
w_bt = round((self.w_Mg)/(biotite[6][3]), 4)
|
|
1113
|
+
w_qz = round(abs(-24.95*x**3 + 50.32*x**2 - 21.44*x + 96 - (574.08*x**5 - 1466.01*x**4 + 1220.19*x**3 - 285.57*x**2 - 33.17*x + 82))/100, 4)
|
|
1114
|
+
w_kfs = round(abs(574.08*x**5 - 1466.01*x**4 + 1220.19*x**3 - 285.57*x**2 - 33.17*x + 82 - (45.95*x**3 - 0.2*x**2 + 24.45*x + 13.4))/100, 4)
|
|
1115
|
+
w_pl = round(abs(45.95*x**3 - 0.2*x**2 + 24.45*x + 13.4 - (-23.27*x**3 + 54.32*x**2 + 0.37*x))/100, 4)
|
|
1116
|
+
w_ms = round(abs(100 - (-24.95*x**3 + 50.32*x**2 - 21.44*x + 96))/100, 4)
|
|
1117
|
+
w_amph = round(1-w_qz-w_kfs-w_pl-w_bt-w_ms, 4)
|
|
1118
|
+
elif self.w_K != None:
|
|
1119
|
+
w_bt = round(abs(-23.27*x**3 + 54.32*x**2 + 0.37*x - (1.9*x**3 + 17.13*x**2 + 2.24*x))/100, 4)
|
|
1120
|
+
w_ms = round(abs(100 - (-24.95*x**3 + 50.32*x**2 - 21.44*x + 96))/100, 4)
|
|
1121
|
+
w_kfs = round((self.w_K - w_bt*biotite[6][6] - w_ms*muscovite[6][5])/(alkalifeldspar[6][4]), 4)
|
|
1122
|
+
w_qz = round(abs(-24.95*x**3 + 50.32*x**2 - 21.44*x + 96 - (574.08*x**5 - 1466.01*x**4 + 1220.19*x**3 - 285.57*x**2 - 33.17*x + 82))/100, 4)
|
|
1123
|
+
w_pl = round(abs(45.95*x**3 - 0.2*x**2 + 24.45*x + 13.4 - (-23.27*x**3 + 54.32*x**2 + 0.37*x))/100, 4)
|
|
1124
|
+
w_amph = round(1-w_qz-w_kfs-w_pl-w_bt-w_ms, 4)
|
|
1125
|
+
elif self.w_Ca != None:
|
|
1126
|
+
w_pl = round((self.w_Ca)/(plagioclase[6][4]), 4)
|
|
1127
|
+
w_qz = round(abs(-24.95*x**3 + 50.32*x**2 - 21.44*x + 96 - (574.08*x**5 - 1466.01*x**4 + 1220.19*x**3 - 285.57*x**2 - 33.17*x + 82))/100, 4)
|
|
1128
|
+
w_kfs = round(abs(574.08*x**5 - 1466.01*x**4 + 1220.19*x**3 - 285.57*x**2 - 33.17*x + 82 - (45.95*x**3 - 0.2*x**2 + 24.45*x + 13.4))/100, 4)
|
|
1129
|
+
w_bt = round(abs(-23.27*x**3 + 54.32*x**2 + 0.37*x - (1.9*x**3 + 17.13*x**2 + 2.24*x))/100, 4)
|
|
1130
|
+
w_ms = round(abs(100 - (-24.95*x**3 + 50.32*x**2 - 21.44*x + 96))/100, 4)
|
|
1131
|
+
w_amph = round(1-w_qz-w_kfs-w_pl-w_bt-w_ms, 4)
|
|
1132
|
+
elif self.w_Fe != None:
|
|
1133
|
+
w_bt = round(abs(-23.27*x**3 + 54.32*x**2 + 0.37*x - (1.9*x**3 + 17.13*x**2 + 2.24*x))/100, 4)
|
|
1134
|
+
w_amph = round((self.w_Fe - w_bt*biotite[6][7])/(amphibole[6][4]), 4)
|
|
1135
|
+
w_qz = round(abs(-24.95*x**3 + 50.32*x**2 - 21.44*x + 96 - (574.08*x**5 - 1466.01*x**4 + 1220.19*x**3 - 285.57*x**2 - 33.17*x + 82))/100, 4)
|
|
1136
|
+
w_kfs = round(abs(574.08*x**5 - 1466.01*x**4 + 1220.19*x**3 - 285.57*x**2 - 33.17*x + 82 - (45.95*x**3 - 0.2*x**2 + 24.45*x + 13.4))/100, 4)
|
|
1137
|
+
w_pl = round(abs(45.95*x**3 - 0.2*x**2 + 24.45*x + 13.4 - (-23.27*x**3 + 54.32*x**2 + 0.37*x))/100, 4)
|
|
1138
|
+
w_ms = round(1-w_qz-w_kfs-w_pl-w_bt-w_amph, 4)
|
|
1139
|
+
elif type(self.amounts) is list:
|
|
1140
|
+
w_qz = round(abs(np.random.normal(self.amounts[0], 0.0025)), 4)
|
|
1141
|
+
w_kfs = round(abs(np.random.normal(self.amounts[1], 0.0025)), 4)
|
|
1142
|
+
w_pl = round(abs(np.random.normal(self.amounts[2], 0.0025)), 4)
|
|
1143
|
+
w_bt = round(abs(np.random.normal(self.amounts[3], 0.0025)), 4)
|
|
1144
|
+
w_ms = round(abs(np.random.normal(self.amounts[4], 0.00025)), 4)
|
|
1145
|
+
w_amph = round(1-w_qz-w_kfs-w_pl-w_bt-w_ms, 4)
|
|
1146
|
+
#
|
|
1147
|
+
if w_qz >= 0.0 and w_kfs >= 0.0 and w_pl >= 0.0 and w_bt >= 0.0 and w_ms >= 0.0 and w_amph >= 0.0:
|
|
1148
|
+
sumMin = round(w_qz + w_kfs + w_pl + w_bt + w_ms + w_amph, 4)
|
|
1149
|
+
else:
|
|
1150
|
+
sumMin = 0
|
|
1151
|
+
#
|
|
1152
|
+
w_H = round(w_bt*biotite[6][0] + w_ms*muscovite[6][0] + w_amph*amphibole[6][0], 4)
|
|
1153
|
+
w_F = round(w_bt*biotite[6][2] + w_ms*muscovite[6][2], 4)
|
|
1154
|
+
w_Na = round(w_kfs*alkalifeldspar[6][1] + w_pl*plagioclase[6][1] + w_amph*amphibole[6][2], 4)
|
|
1155
|
+
w_Mg = round(w_bt*biotite[6][3], 4)
|
|
1156
|
+
w_Al = round(w_kfs*alkalifeldspar[6][2] + w_pl*plagioclase[6][2] + w_bt*biotite[6][4] + w_ms*muscovite[6][3], 4)
|
|
1157
|
+
w_Si = round(w_qz*quartz[6][1] + w_kfs*alkalifeldspar[6][3] + w_pl*plagioclase[6][3] + w_bt*biotite[6][5] + w_ms*muscovite[6][4] + w_amph*amphibole[6][3], 4)
|
|
1158
|
+
w_K = round(w_kfs*alkalifeldspar[6][4] + w_bt*biotite[6][6] + w_ms*muscovite[6][5], 4)
|
|
1159
|
+
w_Ca = round(w_pl*plagioclase[6][4], 4)
|
|
1160
|
+
w_Fe = round(w_bt*biotite[6][7] + w_amph*amphibole[6][4], 4)
|
|
1161
|
+
w_O = round(1 - w_H - w_F - w_Na - w_Mg - w_Al - w_Si - w_K - w_Ca - w_Fe, 4)
|
|
1162
|
+
sumConc = round(w_H + w_O + w_F + w_Na + w_Mg + w_Al + w_Si + w_K + w_Ca + w_Fe, 4)
|
|
1163
|
+
#
|
|
1164
|
+
if sumMin == 1 and sumConc == 1:
|
|
1165
|
+
composition.extend((["Qz", "Kfs", "Pl", "Bt", "Ms", "Amph"]))
|
|
1166
|
+
concentrations = [w_H, w_O, w_F, w_Na, w_Mg, w_Al, w_Si, w_K, w_Ca, w_Fe]
|
|
1167
|
+
amounts = [w_qz, w_kfs, w_pl, w_bt, w_ms, w_amph]
|
|
1168
|
+
phi_V = geochemistry.Fractions.calculate_volume_fraction(self, mineralogy=mineralogy, w=amounts)
|
|
1169
|
+
if 0.20 <= phi_V[0] <= 0.6 and 0.15 <= phi_V[1] <= 0.8 and 0.0 <= phi_V[2] <= 0.52:
|
|
1170
|
+
cond = True
|
|
1171
|
+
else:
|
|
1172
|
+
composition = []
|
|
1173
|
+
cond = False
|
|
1174
|
+
else:
|
|
1175
|
+
cond = False
|
|
1176
|
+
data.append(composition)
|
|
1177
|
+
#
|
|
1178
|
+
rhoSolid = (w_qz*quartz[2] + w_kfs*alkalifeldspar[2] + w_pl*plagioclase[2] + w_bt*biotite[2] + w_ms*muscovite[2] + w_amph*amphibole[2]) / 1000
|
|
1179
|
+
X = [w_qz, w_kfs, w_pl, w_bt, w_ms, w_amph]
|
|
1180
|
+
K_list = [mineralogy[i][3][0] for i in range(len(mineralogy))]
|
|
1181
|
+
G_list = [mineralogy[i][3][1] for i in range(len(mineralogy))]
|
|
1182
|
+
K_geo = elast.calc_geometric_mean(self, X, K_list)
|
|
1183
|
+
G_geo = elast.calc_geometric_mean(self, X, G_list)
|
|
1184
|
+
K_solid = K_geo
|
|
1185
|
+
G_solid = G_geo
|
|
1186
|
+
vP_solid = 0.85*np.sqrt((K_solid*10**9+4/3*G_solid*10**9)/(rhoSolid*10**3))
|
|
1187
|
+
vS_solid = 0.85*np.sqrt((G_solid*10**9)/(rhoSolid*10**3))
|
|
1188
|
+
E_solid = (9*K_solid*G_solid)/(3*K_solid+G_solid)
|
|
1189
|
+
nu_solid = (3*K_solid-2*G_solid)/(2*(3*K_solid+G_solid))
|
|
1190
|
+
#
|
|
1191
|
+
if self.porosity == None:
|
|
1192
|
+
if self.actualThickness <= 1000:
|
|
1193
|
+
phi = rd.uniform(0.0, 0.025)
|
|
1194
|
+
elif self.actualThickness > 1000 and self.actualThickness <= 2000:
|
|
1195
|
+
phi = rd.uniform(0.0, 0.025)
|
|
1196
|
+
elif self.actualThickness > 2000 and self.actualThickness <= 3000:
|
|
1197
|
+
phi = rd.uniform(0.0, 0.025)
|
|
1198
|
+
elif self.actualThickness > 3000 and self.actualThickness <= 4000:
|
|
1199
|
+
phi = rd.uniform(0.0, 0.025)
|
|
1200
|
+
elif self.actualThickness > 4000:
|
|
1201
|
+
phi = rd.uniform(0.0, 0.025)
|
|
1202
|
+
else:
|
|
1203
|
+
phi = self.porosity
|
|
1204
|
+
#
|
|
1205
|
+
rho = (1 - phi) * rhoSolid + phi * water[2] / 1000
|
|
1206
|
+
vP = (1-phi)*vP_solid + phi*water[4][0]
|
|
1207
|
+
vS = (1 - phi) * vS_solid
|
|
1208
|
+
G_bulk = vS**2 * rho
|
|
1209
|
+
K_bulk = vP**2 * rho - 4/3*G_bulk
|
|
1210
|
+
E_bulk = (9*K_bulk*G_bulk)/(3*K_bulk+G_bulk)
|
|
1211
|
+
phiD = (rhoSolid - rho) / (rhoSolid - water[2] / 1000)
|
|
1212
|
+
phiN = (2 * phi ** 2 - phiD ** 2) ** (0.5)
|
|
1213
|
+
GR = w_qz*quartz[5][0] + w_kfs*alkalifeldspar[5][0] + w_pl*plagioclase[5][0] + w_bt*biotite[5][0] + w_ms*muscovite[5][0] + w_amph*amphibole[5][0]
|
|
1214
|
+
PE = w_qz*quartz[5][1] + w_kfs*alkalifeldspar[5][1] + w_pl*plagioclase[5][1] + w_bt*biotite[5][1] + w_ms*muscovite[5][1] + w_amph*amphibole[5][1]
|
|
1215
|
+
poisson_mineralogical = w_qz*quartz[3][3] + w_kfs*alkalifeldspar[3][3] + w_pl*plagioclase[3][3] + w_bt*biotite[3][3] + w_ms*muscovite[3][3] + w_amph*amphibole[3][3]
|
|
1216
|
+
#
|
|
1217
|
+
if self.dict_output == False:
|
|
1218
|
+
data.append([round(rho, 3), round(rhoSolid, 3), round(water[2] / 1000, 6)])
|
|
1219
|
+
data.append([round(K_bulk*10**(-6), 2), round(G_bulk*10**(-6), 2), round(E_bulk*10**(-6), 2), round(poisson_mineralogical, 3)])
|
|
1220
|
+
data.append([round(vP, 2), round(vS, 2), round(vP_solid, 2), round(water[4][0], 2)])
|
|
1221
|
+
data.append([round(phi, 3), round(phiD, 3), round(phiN, 3)])
|
|
1222
|
+
data.append("water")
|
|
1223
|
+
data.append([round(GR, 3), round(PE, 3)])
|
|
1224
|
+
data.append(concentrations)
|
|
1225
|
+
data.append(amounts)
|
|
1226
|
+
#
|
|
1227
|
+
return data
|
|
1228
|
+
else:
|
|
1229
|
+
results = {}
|
|
1230
|
+
results["rock"] = "Felsic Rock"
|
|
1231
|
+
#
|
|
1232
|
+
element_list = ["H", "O", "F", "Na", "Mg", "Al", "Si", "K", "Ca", "Fe"]
|
|
1233
|
+
mineral_list = ["Qz", "Kfs", "Pl", "Bt", "Ms", "Amph"]
|
|
1234
|
+
data.append(composition)
|
|
1235
|
+
results["chemistry"] = {}
|
|
1236
|
+
results["mineralogy"] = {}
|
|
1237
|
+
for index, element in enumerate(element_list, start=0):
|
|
1238
|
+
results["chemistry"][element] = concentrations[index]
|
|
1239
|
+
for index, mineral in enumerate(mineral_list, start=0):
|
|
1240
|
+
results["mineralogy"][mineral] = amounts[index]
|
|
1241
|
+
#
|
|
1242
|
+
results["phi"] = round(phi, 4)
|
|
1243
|
+
results["fluid"] = self.fluid
|
|
1244
|
+
#
|
|
1245
|
+
results["rho"] = round(rho*1000, 4)
|
|
1246
|
+
results["vP"] = round(vP, 4)
|
|
1247
|
+
results["vS"] = round(vS, 4)
|
|
1248
|
+
results["vP/vS"] = round(vP/vS, 4)
|
|
1249
|
+
results["G"] = round(G_bulk*10**(-6), 4)
|
|
1250
|
+
results["K"] = round(K_bulk*10**(-6), 4)
|
|
1251
|
+
results["E"] = round(E_bulk*10**(-6), 4)
|
|
1252
|
+
results["nu"] = round(poisson_mineralogical, 4)
|
|
1253
|
+
results["GR"] = round(GR, 4)
|
|
1254
|
+
results["PE"] = round(PE, 4)
|
|
1255
|
+
#
|
|
1256
|
+
return results
|
|
1257
|
+
#
|
|
1258
|
+
def create_intermediate(self, amounts=None):
|
|
1259
|
+
#
|
|
1260
|
+
self.amounts = amounts
|
|
1261
|
+
#
|
|
1262
|
+
results = {}
|
|
1263
|
+
results["rock"] = "Intermediate Rock"
|
|
1264
|
+
#
|
|
1265
|
+
# Mineralogy + Fluids
|
|
1266
|
+
data_kfs = Tectosilicates(impurity="pure", data_type=True).create_alkalifeldspar()
|
|
1267
|
+
data_pl = Tectosilicates(impurity="pure", data_type=True).create_plagioclase()
|
|
1268
|
+
data_bt = Phyllosilicates(impurity="pure", data_type=True).create_biotite()
|
|
1269
|
+
data_amph = Inosilicates(impurity="pure", data_type=True).create_calcium_amphibole()
|
|
1270
|
+
data_px = Inosilicates(impurity="pure", data_type=True).create_calium_pyroxene()
|
|
1271
|
+
#
|
|
1272
|
+
minerals_list = [self.data_qz, data_kfs, data_pl, data_bt, data_amph, data_px]
|
|
1273
|
+
water = fluids.Water.water("")
|
|
1274
|
+
#
|
|
1275
|
+
elements_list = []
|
|
1276
|
+
for mineral in minerals_list:
|
|
1277
|
+
elements_mineral = list(mineral["chemistry"].keys())
|
|
1278
|
+
for element in elements_mineral:
|
|
1279
|
+
if element not in elements_list:
|
|
1280
|
+
elements_list.append(element)
|
|
1281
|
+
elements_list.sort()
|
|
1282
|
+
#
|
|
1283
|
+
data = []
|
|
1284
|
+
#
|
|
1285
|
+
cond = False
|
|
1286
|
+
while cond == False:
|
|
1287
|
+
if self.amounts == None:
|
|
1288
|
+
x = rd.uniform(0.0, 1.0)
|
|
1289
|
+
phi_qz = round(abs(100 - (17.97*x**3 - 32.67*x**2 + 26.71*x + 91 - 3*x))/100, 4)
|
|
1290
|
+
phi_kfs = round(abs(17.97*x**3 - 32.67*x**2 + 26.71*x + 91 - 3*x - (121.55*x**5 - 358.74*x**4 + 402.63*x**3 - 224.97*x**2 + 77.15*x + 81.5))/100, 4)
|
|
1291
|
+
phi_pl = round(abs(121.55*x**5 - 358.74*x**4 + 402.63*x**3 - 224.97*x**2 + 77.15*x + 81.5 - (9.48*x**3 - 14.12*x**2 + 30.33*x + 31))/100, 4)
|
|
1292
|
+
phi_bt = round(abs(9.48*x**3 - 14.12*x**2 + 30.33*x + 31 - (-274.33*x**5 + 771.98*x**4 - 755.27*x**3 + 275.7*x**2 + 17.43*x + 20.9))/100, 4)
|
|
1293
|
+
phi_amph = round(abs(-274.33*x**5 + 771.98*x**4 - 755.27*x**3 + 275.7*x**2 + 17.43*x + 20.9 - (-2.07*x**3 + 30.77*x**2 + 0.5*x))/100, 4)
|
|
1294
|
+
phi_pyx = round(abs(-2.07*x**3 + 30.77*x**2 + 0.5*x)/100, 4)
|
|
1295
|
+
m_total = phi_qz*self.data_qz["rho"] + phi_kfs*data_kfs["rho"] + phi_pl*data_pl["rho"] + phi_bt*data_bt["rho"] + phi_amph*data_amph["rho"] + phi_pyx*data_px["rho"]
|
|
1296
|
+
w_qz = round(phi_qz*self.data_qz["rho"]/m_total, 4)
|
|
1297
|
+
w_kfs = round(phi_kfs*data_kfs["rho"]/m_total, 4)
|
|
1298
|
+
w_pl = round(phi_pl*data_pl["rho"]/m_total, 4)
|
|
1299
|
+
w_bt = round(phi_bt*data_bt["rho"]/m_total, 4)
|
|
1300
|
+
w_amph = round(phi_amph*data_amph["rho"]/m_total, 4)
|
|
1301
|
+
w_pyx = round(phi_pyx*data_px["rho"]/m_total, 4)
|
|
1302
|
+
elif type(self.amounts) is list:
|
|
1303
|
+
w_qz = round(abs(np.random.normal(self.amounts[0], 0.00025)), 4)
|
|
1304
|
+
w_kfs = round(abs(np.random.normal(self.amounts[1], 0.0025)), 4)
|
|
1305
|
+
w_pl = round(abs(np.random.normal(self.amounts[2], 0.0025)), 4)
|
|
1306
|
+
w_bt = round(abs(np.random.normal(self.amounts[3], 0.0025)), 4)
|
|
1307
|
+
w_amph = round(abs(np.random.normal(self.amounts[4], 0.0025)), 4)
|
|
1308
|
+
w_pyx = round(1-w_qz-w_kfs-w_pl-w_bt-w_amph, 4)
|
|
1309
|
+
#
|
|
1310
|
+
if w_qz >= 0.0 and w_kfs >= 0.0 and w_pl >= 0.0 and w_bt >= 0.0 and w_amph >= 0.0 and w_pyx >= 0.0:
|
|
1311
|
+
sumMin = round(w_qz + w_kfs + w_pl + w_bt + w_amph + w_pyx, 4)
|
|
1312
|
+
else:
|
|
1313
|
+
sumMin = 0
|
|
1314
|
+
#
|
|
1315
|
+
mineral_amounts = {}
|
|
1316
|
+
mineral_amounts["Qz"] = w_qz
|
|
1317
|
+
mineral_amounts["Kfs"] = w_kfs
|
|
1318
|
+
mineral_amounts["Pl"] = w_pl
|
|
1319
|
+
mineral_amounts["Bt"] = w_bt
|
|
1320
|
+
mineral_amounts["Amph"] = w_amph
|
|
1321
|
+
mineral_amounts["Px"] = w_pyx
|
|
1322
|
+
#
|
|
1323
|
+
element_amounts = {}
|
|
1324
|
+
w_O = 1
|
|
1325
|
+
w_sum = 0
|
|
1326
|
+
for element in elements_list:
|
|
1327
|
+
if element != "O":
|
|
1328
|
+
element_amounts[element] = 0
|
|
1329
|
+
for mineral in minerals_list:
|
|
1330
|
+
if element in mineral["chemistry"]:
|
|
1331
|
+
element_amounts[element] += round(mineral["chemistry"][element]*mineral_amounts[mineral["mineral"]], 4)
|
|
1332
|
+
element_amounts[element] = round(element_amounts[element], 4)
|
|
1333
|
+
w_sum += element_amounts[element]
|
|
1334
|
+
w_O -= element_amounts[element]
|
|
1335
|
+
element_amounts["O"] = round(w_O, 4)
|
|
1336
|
+
w_sum += element_amounts["O"]
|
|
1337
|
+
if sumMin == 1 and w_sum == 1:
|
|
1338
|
+
cond = True
|
|
1339
|
+
else:
|
|
1340
|
+
cond = False
|
|
1341
|
+
#
|
|
1342
|
+
results["mineralogy"] = mineral_amounts
|
|
1343
|
+
results["chemistry"] = element_amounts
|
|
1344
|
+
#
|
|
1345
|
+
rhoSolid = 0
|
|
1346
|
+
K_list = []
|
|
1347
|
+
G_list = []
|
|
1348
|
+
for mineral in minerals_list:
|
|
1349
|
+
rhoSolid += mineral["rho"]*mineral_amounts[mineral["mineral"]]/1000
|
|
1350
|
+
K_list.append(round(mineral["K"]*mineral_amounts[mineral["mineral"]], 3))
|
|
1351
|
+
G_list.append(round(mineral["G"]*mineral_amounts[mineral["mineral"]], 3))
|
|
1352
|
+
X = [w_qz, w_kfs, w_pl, w_bt, w_amph, w_pyx]
|
|
1353
|
+
K_geo = elast.calc_geometric_mean(self, X, K_list)
|
|
1354
|
+
G_geo = elast.calc_geometric_mean(self, X, G_list)
|
|
1355
|
+
K_solid = K_geo
|
|
1356
|
+
G_solid = G_geo
|
|
1357
|
+
vP_solid = np.sqrt((K_solid*10**9+4/3*G_solid*10**9)/(rhoSolid*10**3))
|
|
1358
|
+
vS_solid = np.sqrt((G_solid*10**9)/(rhoSolid*10**3))
|
|
1359
|
+
#
|
|
1360
|
+
if self.porosity == None:
|
|
1361
|
+
if self.actualThickness <= 1000:
|
|
1362
|
+
phi = rd.uniform(0.0, 0.025)
|
|
1363
|
+
elif self.actualThickness > 1000 and self.actualThickness <= 2000:
|
|
1364
|
+
phi = rd.uniform(0.0, 0.025)
|
|
1365
|
+
elif self.actualThickness > 2000 and self.actualThickness <= 3000:
|
|
1366
|
+
phi = rd.uniform(0.0, 0.025)
|
|
1367
|
+
elif self.actualThickness > 3000 and self.actualThickness <= 4000:
|
|
1368
|
+
phi = rd.uniform(0.0, 0.025)
|
|
1369
|
+
elif self.actualThickness > 4000:
|
|
1370
|
+
phi = rd.uniform(0.0, 0.025)
|
|
1371
|
+
else:
|
|
1372
|
+
phi = self.porosity
|
|
1373
|
+
phi = round(phi, 4)
|
|
1374
|
+
results["phi"] = phi
|
|
1375
|
+
results["fluid"] = self.fluid
|
|
1376
|
+
#
|
|
1377
|
+
rho = (1 - phi)*rhoSolid + phi*water[2]/1000
|
|
1378
|
+
vP = (1 - phi)*vP_solid + phi*water[4][0]
|
|
1379
|
+
vS = (1 - phi)*vS_solid
|
|
1380
|
+
#
|
|
1381
|
+
G_bulk = vS**2 * rho
|
|
1382
|
+
K_bulk = vP**2 * rho - 4/3*G_bulk
|
|
1383
|
+
E_bulk = (9*K_bulk*G_bulk)/(3*K_bulk+G_bulk)
|
|
1384
|
+
phiD = (rhoSolid - rho) / (rhoSolid - water[2] / 1000)
|
|
1385
|
+
phiN = (2 * phi ** 2 - phiD ** 2) ** (0.5)
|
|
1386
|
+
#
|
|
1387
|
+
GR = 0
|
|
1388
|
+
PE = 0
|
|
1389
|
+
poisson_mineralogical = 0
|
|
1390
|
+
for mineral in minerals_list:
|
|
1391
|
+
GR += mineral["GR"]*mineral_amounts[mineral["mineral"]]
|
|
1392
|
+
PE += mineral["PE"]*mineral_amounts[mineral["mineral"]]
|
|
1393
|
+
poisson_mineralogical += mineral["nu"]*mineral_amounts[mineral["mineral"]]
|
|
1394
|
+
#
|
|
1395
|
+
if self.dict_output == False:
|
|
1396
|
+
data.append([round(rho, 3), round(rhoSolid, 3), round(water[2] / 1000, 3)])
|
|
1397
|
+
data.append([round(K_bulk*10**(-6), 2), round(G_bulk*10**(-6), 2), round(E_bulk*10**(-6), 2), round(poisson_mineralogical, 3)])
|
|
1398
|
+
data.append([round(vP, 2), round(vS, 2), round(vP_solid, 2), round(water[4][0], 2)])
|
|
1399
|
+
data.append([round(phi, 3), round(phiD, 3), round(phiN, 3)])
|
|
1400
|
+
data.append(self.fluid)
|
|
1401
|
+
data.append([round(GR, 3), round(PE, 3)])
|
|
1402
|
+
data.append(amounts)
|
|
1403
|
+
#
|
|
1404
|
+
return data
|
|
1405
|
+
else:
|
|
1406
|
+
results["rho"] = round(rho*1000, 4)
|
|
1407
|
+
results["vP"] = round(vP, 4)
|
|
1408
|
+
results["vS"] = round(vS, 4)
|
|
1409
|
+
results["vP/vS"] = round(vP/vS, 4)
|
|
1410
|
+
results["K"] = round(K_bulk*10**(-6), 4)
|
|
1411
|
+
results["G"] = round(G_bulk*10**(-6), 4)
|
|
1412
|
+
results["E"] = round(E_bulk*10**(-6), 4)
|
|
1413
|
+
results["nu"] = round(poisson_mineralogical, 4)
|
|
1414
|
+
results["GR"] = round(GR, 4)
|
|
1415
|
+
results["PE"] = round(PE, 4)
|
|
1416
|
+
#
|
|
1417
|
+
return results
|
|
1418
|
+
|
|
1419
|
+
class Volcanic:
|
|
1420
|
+
#
|
|
1421
|
+
def __init__(self, fluid, actualThickness, dict_output=False, porosity=None):
|
|
1422
|
+
self.fluid = fluid
|
|
1423
|
+
self.actualThickness = actualThickness
|
|
1424
|
+
self.dict_output = dict_output
|
|
1425
|
+
self.porosity = porosity
|
|
1426
|
+
#
|
|
1427
|
+
self.data_quartz = Oxides(impurity="pure", data_type=True).create_quartz()
|
|
1428
|
+
#
|
|
1429
|
+
self.data_water = Water.water("")
|
|
1430
|
+
self.data_oil = Hydrocarbons.oil("")
|
|
1431
|
+
self.data_gas = Hydrocarbons.natural_gas("")
|
|
1432
|
+
#
|
|
1433
|
+
def create_volcanic_rock_streckeisen(self, rock="Rhyolite", number=1, composition=None, enrichment_kfs=None,
|
|
1434
|
+
enrichment_pl=None, upper_streckeisen=True):
|
|
1435
|
+
results_container = {}
|
|
1436
|
+
results_container["rock"] = rock
|
|
1437
|
+
results_container["mineralogy"] = {}
|
|
1438
|
+
results_container["chemistry"] = {}
|
|
1439
|
+
results_container["compounds"] = {}
|
|
1440
|
+
results_container["phi"] = []
|
|
1441
|
+
results_container["fluid"] = self.fluid
|
|
1442
|
+
results_container["rho_s"] = []
|
|
1443
|
+
results_container["rho"] = []
|
|
1444
|
+
results_container["vP"] = []
|
|
1445
|
+
results_container["vS"] = []
|
|
1446
|
+
results_container["vP/vS"] = []
|
|
1447
|
+
results_container["K"] = []
|
|
1448
|
+
results_container["G"] = []
|
|
1449
|
+
results_container["E"] = []
|
|
1450
|
+
results_container["nu"] = []
|
|
1451
|
+
results_container["GR"] = []
|
|
1452
|
+
results_container["PE"] = []
|
|
1453
|
+
#
|
|
1454
|
+
n = 0
|
|
1455
|
+
while n < number:
|
|
1456
|
+
data_alkalifeldspar = Tectosilicates(impurity="pure", data_type=True).create_alkalifeldspar(
|
|
1457
|
+
enrichment=enrichment_kfs)
|
|
1458
|
+
data_plagioclase = Tectosilicates(impurity="pure", data_type=True).create_plagioclase(
|
|
1459
|
+
enrichment=enrichment_pl)
|
|
1460
|
+
data_biotite = Phyllosilicates(impurity="pure", data_type=True).create_biotite()
|
|
1461
|
+
#
|
|
1462
|
+
if upper_streckeisen == True:
|
|
1463
|
+
mineralogy = {"Qz": self.data_quartz, "Kfs": data_alkalifeldspar, "Pl": data_plagioclase,
|
|
1464
|
+
"Bt": data_biotite}
|
|
1465
|
+
elif upper_streckeisen == False:
|
|
1466
|
+
data_nepheline = Tectosilicates(impurity="pure", data_type=True).create_nepheline()
|
|
1467
|
+
mineralogy = {"Nph": data_nepheline, "Kfs": data_alkalifeldspar, "Pl": data_plagioclase,
|
|
1468
|
+
"Bt": data_biotite}
|
|
1469
|
+
#
|
|
1470
|
+
minerals_list = list(mineralogy.keys())
|
|
1471
|
+
#
|
|
1472
|
+
if minerals_list[0] not in results_container["mineralogy"]:
|
|
1473
|
+
for mineral in minerals_list:
|
|
1474
|
+
results_container["mineralogy"][mineral] = []
|
|
1475
|
+
#
|
|
1476
|
+
condition = False
|
|
1477
|
+
#
|
|
1478
|
+
while condition == False:
|
|
1479
|
+
elements_list = []
|
|
1480
|
+
phi_minerals = {}
|
|
1481
|
+
w_minerals = {}
|
|
1482
|
+
w_elements = {}
|
|
1483
|
+
#
|
|
1484
|
+
if composition != None:
|
|
1485
|
+
if upper_streckeisen == True:
|
|
1486
|
+
phi_qz = composition["Qz"]
|
|
1487
|
+
phi_minerals["Qz"] = phi_qz
|
|
1488
|
+
elif upper_streckeisen == False:
|
|
1489
|
+
phi_nph = composition["Nph"]
|
|
1490
|
+
phi_minerals["Nph"] = phi_nph
|
|
1491
|
+
#
|
|
1492
|
+
phi_kfs = composition["Kfs"]
|
|
1493
|
+
phi_pl = composition["Pl"]
|
|
1494
|
+
phi_bt = composition["Bt"]
|
|
1495
|
+
#
|
|
1496
|
+
phi_minerals["Kfs"] = phi_kfs
|
|
1497
|
+
phi_minerals["Pl"] = phi_pl
|
|
1498
|
+
phi_minerals["Bt"] = phi_bt
|
|
1499
|
+
#
|
|
1500
|
+
else:
|
|
1501
|
+
condition_2 = False
|
|
1502
|
+
while condition_2 == False:
|
|
1503
|
+
#
|
|
1504
|
+
## UPPER STRECKEISEN DIAGRAM
|
|
1505
|
+
#
|
|
1506
|
+
if rock == "Rhyolite":
|
|
1507
|
+
qz_limits = [0.2, 0.6]
|
|
1508
|
+
kfs_limits = [0.15, 0.8]
|
|
1509
|
+
pl_limits = [0.0, 0.52]
|
|
1510
|
+
bt_limits = [0.0, 0.05]
|
|
1511
|
+
elif rock == "Dacite":
|
|
1512
|
+
qz_limits = [0.2, 0.6]
|
|
1513
|
+
kfs_limits = [0.0, 0.28]
|
|
1514
|
+
pl_limits = [0.25, 0.8]
|
|
1515
|
+
bt_limits = [0.0, 0.05]
|
|
1516
|
+
elif rock == "Trachyte":
|
|
1517
|
+
qz_limits = [0.0, 0.2]
|
|
1518
|
+
kfs_limits = [0.52, 1.0]
|
|
1519
|
+
pl_limits = [0.0, 0.35]
|
|
1520
|
+
bt_limits = [0.0, 0.05]
|
|
1521
|
+
elif rock == "Latite":
|
|
1522
|
+
qz_limits = [0.0, 0.2]
|
|
1523
|
+
kfs_limits = [0.28, 0.65]
|
|
1524
|
+
pl_limits = [0.28, 0.65]
|
|
1525
|
+
bt_limits = [0.0, 0.05]
|
|
1526
|
+
elif rock == "Andesite":
|
|
1527
|
+
qz_limits = [0.0, 0.2]
|
|
1528
|
+
kfs_limits = [0.0, 0.35]
|
|
1529
|
+
pl_limits = [0.52, 1.0]
|
|
1530
|
+
bt_limits = [0.0, 0.05]
|
|
1531
|
+
elif rock == "Basalt":
|
|
1532
|
+
qz_limits = [0.0, 0.2]
|
|
1533
|
+
kfs_limits = [0.0, 0.35]
|
|
1534
|
+
pl_limits = [0.52, 1.0]
|
|
1535
|
+
bt_limits = [0.0, 0.05]
|
|
1536
|
+
#
|
|
1537
|
+
## LOWER STRECKEISEN DIAGRAM
|
|
1538
|
+
#
|
|
1539
|
+
elif rock == "Foid-bearing Trachyte":
|
|
1540
|
+
upper_streckeisen = False
|
|
1541
|
+
nph_limits = [0.0, 0.1]
|
|
1542
|
+
kfs_limits = [0.58, 1.0]
|
|
1543
|
+
pl_limits = [0.0, 0.35]
|
|
1544
|
+
bt_limits = [0.0, 0.05]
|
|
1545
|
+
elif rock == "Foid-bearing Latite":
|
|
1546
|
+
upper_streckeisen = False
|
|
1547
|
+
nph_limits = [0.0, 0.1]
|
|
1548
|
+
kfs_limits = [0.32, 0.65]
|
|
1549
|
+
pl_limits = [0.35, 0.68]
|
|
1550
|
+
bt_limits = [0.0, 0.05]
|
|
1551
|
+
elif rock == "Foid-bearing Andesite":
|
|
1552
|
+
upper_streckeisen = False
|
|
1553
|
+
nph_limits = [0.0, 0.1]
|
|
1554
|
+
kfs_limits = [0.0, 0.35]
|
|
1555
|
+
pl_limits = [0.58, 1.0]
|
|
1556
|
+
bt_limits = [0.0, 0.05]
|
|
1557
|
+
elif rock == "Foid-bearing Basalt":
|
|
1558
|
+
upper_streckeisen = False
|
|
1559
|
+
nph_limits = [0.0, 0.1]
|
|
1560
|
+
kfs_limits = [0.0, 0.35]
|
|
1561
|
+
pl_limits = [0.58, 1.0]
|
|
1562
|
+
bt_limits = [0.0, 0.05]
|
|
1563
|
+
elif rock == "Phonolite":
|
|
1564
|
+
upper_streckeisen = False
|
|
1565
|
+
nph_limits = [0.1, 0.6]
|
|
1566
|
+
kfs_limits = [0.2, 0.9]
|
|
1567
|
+
pl_limits = [0.0, 0.45]
|
|
1568
|
+
bt_limits = [0.0, 0.05]
|
|
1569
|
+
elif rock == "Tephrite":
|
|
1570
|
+
upper_streckeisen = False
|
|
1571
|
+
nph_limits = [0.1, 0.6]
|
|
1572
|
+
kfs_limits = [0.0, 0.45]
|
|
1573
|
+
pl_limits = [0.2, 0.9]
|
|
1574
|
+
bt_limits = [0.0, 0.05]
|
|
1575
|
+
elif rock == "Foidite":
|
|
1576
|
+
upper_streckeisen = False
|
|
1577
|
+
nph_limits = [0.6, 1.0]
|
|
1578
|
+
kfs_limits = [0.0, 0.4]
|
|
1579
|
+
pl_limits = [0.0, 0.4]
|
|
1580
|
+
bt_limits = [0.0, 0.05]
|
|
1581
|
+
|
|
1582
|
+
if upper_streckeisen == True:
|
|
1583
|
+
phi_qz = round(rd.uniform(qz_limits[0], qz_limits[1]), 4)
|
|
1584
|
+
phi_kfs = round(rd.uniform(kfs_limits[0], (1.0 - phi_qz)), 4)
|
|
1585
|
+
phi_pl = round(rd.uniform(0.0, (1.0 - phi_qz - phi_kfs)), 4)
|
|
1586
|
+
phi_bt = round(1 - phi_qz - phi_kfs - phi_pl, 4)
|
|
1587
|
+
phi_total = phi_qz + phi_kfs + phi_pl + phi_bt
|
|
1588
|
+
#
|
|
1589
|
+
if np.isclose(phi_total, 1.0000) == True:
|
|
1590
|
+
if qz_limits[0] <= phi_qz <= qz_limits[1] \
|
|
1591
|
+
and kfs_limits[0] <= phi_kfs <= kfs_limits[1] \
|
|
1592
|
+
and pl_limits[0] <= phi_pl <= pl_limits[1] \
|
|
1593
|
+
and bt_limits[0] <= phi_bt <= bt_limits[1]:
|
|
1594
|
+
condition_2 = True
|
|
1595
|
+
#
|
|
1596
|
+
elif upper_streckeisen == False:
|
|
1597
|
+
phi_nph = round(rd.uniform(nph_limits[0], nph_limits[1]), 4)
|
|
1598
|
+
phi_kfs = round(rd.uniform(kfs_limits[0], (1.0 - phi_nph)), 4)
|
|
1599
|
+
phi_pl = round(rd.uniform(0.0, (1.0 - phi_nph - phi_kfs)), 4)
|
|
1600
|
+
phi_bt = round(1 - phi_nph - phi_kfs - phi_pl, 4)
|
|
1601
|
+
phi_total = phi_nph + phi_kfs + phi_pl + phi_bt
|
|
1602
|
+
#
|
|
1603
|
+
if np.isclose(phi_total, 1.0000) == True:
|
|
1604
|
+
if nph_limits[0] <= phi_nph <= nph_limits[1] \
|
|
1605
|
+
and kfs_limits[0] <= phi_kfs <= kfs_limits[1] \
|
|
1606
|
+
and pl_limits[0] <= phi_pl <= pl_limits[1] \
|
|
1607
|
+
and bt_limits[0] <= phi_bt <= bt_limits[1]:
|
|
1608
|
+
condition_2 = True
|
|
1609
|
+
#
|
|
1610
|
+
if upper_streckeisen == True:
|
|
1611
|
+
phi_minerals["Qz"] = phi_qz
|
|
1612
|
+
elif upper_streckeisen == False:
|
|
1613
|
+
phi_minerals["Nph"] = phi_nph
|
|
1614
|
+
#
|
|
1615
|
+
phi_minerals["Kfs"] = phi_kfs
|
|
1616
|
+
phi_minerals["Pl"] = phi_pl
|
|
1617
|
+
phi_minerals["Bt"] = phi_bt
|
|
1618
|
+
#
|
|
1619
|
+
rho_s = 0
|
|
1620
|
+
for key, value in phi_minerals.items():
|
|
1621
|
+
rho_s += phi_minerals[key]*mineralogy[key]["rho"]
|
|
1622
|
+
for element, value in mineralogy[key]["chemistry"].items():
|
|
1623
|
+
if element not in elements_list:
|
|
1624
|
+
elements_list.append(element)
|
|
1625
|
+
w_elements[element] = 0.0
|
|
1626
|
+
#
|
|
1627
|
+
if elements_list[0] not in results_container["chemistry"]:
|
|
1628
|
+
for element in elements_list:
|
|
1629
|
+
results_container["chemistry"][element] = []
|
|
1630
|
+
#
|
|
1631
|
+
rho_s = round(rho_s, 3)
|
|
1632
|
+
for key, value in phi_minerals.items():
|
|
1633
|
+
if key == "Urn":
|
|
1634
|
+
n_digits = 6
|
|
1635
|
+
else:
|
|
1636
|
+
n_digits = 6
|
|
1637
|
+
#
|
|
1638
|
+
w_minerals[key] = round((phi_minerals[key]*mineralogy[key]["rho"])/rho_s, n_digits)
|
|
1639
|
+
#
|
|
1640
|
+
if self.porosity == None:
|
|
1641
|
+
var_porosity = round(rd.uniform(0.0, 0.1), 4)
|
|
1642
|
+
else:
|
|
1643
|
+
var_porosity = round(rd.uniform(self.porosity[0], self.porosity[1]), 4)
|
|
1644
|
+
#
|
|
1645
|
+
if self.fluid == "water":
|
|
1646
|
+
data_fluid = self.data_water
|
|
1647
|
+
elif self.fluid == "oil":
|
|
1648
|
+
data_fluid = self.data_oil
|
|
1649
|
+
elif self.fluid == "gas":
|
|
1650
|
+
data_fluid = self.data_gas
|
|
1651
|
+
#
|
|
1652
|
+
rho = round((1 - var_porosity)*rho_s + var_porosity*data_fluid[2]/1000, 3)
|
|
1653
|
+
#
|
|
1654
|
+
old_index = elements_list.index("O")
|
|
1655
|
+
elements_list += [elements_list.pop(old_index)]
|
|
1656
|
+
#
|
|
1657
|
+
w_elements_total = 0.0
|
|
1658
|
+
for element in elements_list:
|
|
1659
|
+
if element != "O":
|
|
1660
|
+
for mineral, w_mineral in w_minerals.items():
|
|
1661
|
+
if element in mineralogy[mineral]["chemistry"]:
|
|
1662
|
+
if element == "U":
|
|
1663
|
+
n_digits = 6
|
|
1664
|
+
else:
|
|
1665
|
+
n_digits = 6
|
|
1666
|
+
#
|
|
1667
|
+
value = round(w_mineral*mineralogy[mineral]["chemistry"][element], n_digits)
|
|
1668
|
+
w_elements[element] += value
|
|
1669
|
+
w_elements_total += value
|
|
1670
|
+
#
|
|
1671
|
+
w_elements[element] = round(w_elements[element], n_digits)
|
|
1672
|
+
elif element == "O":
|
|
1673
|
+
w_elements[element] += round(1 - w_elements_total, 6)
|
|
1674
|
+
#
|
|
1675
|
+
w_elements[element] = round(w_elements[element], 6)
|
|
1676
|
+
#
|
|
1677
|
+
if sum(w_minerals.values()) == 1.0 and sum(w_elements.values()) == 1.0:
|
|
1678
|
+
for key, value in w_minerals.items():
|
|
1679
|
+
w_minerals[key] = abs(value)
|
|
1680
|
+
#
|
|
1681
|
+
for key, value in w_elements.items():
|
|
1682
|
+
w_elements[key] = abs(value)
|
|
1683
|
+
#
|
|
1684
|
+
condition = True
|
|
1685
|
+
#
|
|
1686
|
+
bulk_mod = 0.0
|
|
1687
|
+
shear_mod = 0.0
|
|
1688
|
+
gamma_ray = 0.0
|
|
1689
|
+
photoelectricity = 0.0
|
|
1690
|
+
#
|
|
1691
|
+
K_list = []
|
|
1692
|
+
G_list = []
|
|
1693
|
+
phi_list = []
|
|
1694
|
+
for key, value in phi_minerals.items():
|
|
1695
|
+
gamma_ray += phi_minerals[key]*mineralogy[key]["GR"]
|
|
1696
|
+
photoelectricity += phi_minerals[key]*mineralogy[key]["PE"]
|
|
1697
|
+
#
|
|
1698
|
+
gamma_ray = round(gamma_ray, 3)
|
|
1699
|
+
photoelectricity = round(photoelectricity, 3)
|
|
1700
|
+
#
|
|
1701
|
+
K_list.append(round(phi_minerals[key]*mineralogy[key]["K"], 3))
|
|
1702
|
+
G_list.append(round(phi_minerals[key]*mineralogy[key]["G"], 3))
|
|
1703
|
+
phi_list.append(phi_minerals[key])
|
|
1704
|
+
#
|
|
1705
|
+
K_geo = elast.calc_geometric_mean(self, phi_list, K_list)
|
|
1706
|
+
G_geo = elast.calc_geometric_mean(self, phi_list, G_list)
|
|
1707
|
+
#
|
|
1708
|
+
# anisotropic_factor = round(rd.uniform(1.0, 2.0), 4)
|
|
1709
|
+
anisotropic_factor = 1.0
|
|
1710
|
+
#
|
|
1711
|
+
bulk_mod = K_geo/anisotropic_factor
|
|
1712
|
+
shear_mod = G_geo/anisotropic_factor
|
|
1713
|
+
#
|
|
1714
|
+
youngs_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 3)
|
|
1715
|
+
poisson_rat = round((3*bulk_mod - 2*shear_mod)/(6*bulk_mod + 2*shear_mod), 6)
|
|
1716
|
+
vP = round(((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(rho))**0.5, 3)
|
|
1717
|
+
vS = round(((shear_mod*10**9)/(rho))**0.5, 3)
|
|
1718
|
+
vPvS = round(vP/vS, 6)
|
|
1719
|
+
# Composition data
|
|
1720
|
+
for key, value in w_minerals.items():
|
|
1721
|
+
results_container["mineralogy"][key].append(value)
|
|
1722
|
+
|
|
1723
|
+
amounts = []
|
|
1724
|
+
for key, value in w_elements.items():
|
|
1725
|
+
results_container["chemistry"][key].append(value)
|
|
1726
|
+
chem_data = PeriodicSystem(name=key).get_data()
|
|
1727
|
+
amounts.append([key, chem_data[1], value])
|
|
1728
|
+
|
|
1729
|
+
list_elements = list(w_elements.keys())
|
|
1730
|
+
list_oxides = OxideCompounds(var_list_elements=list_elements).find_oxides()
|
|
1731
|
+
composition_oxides = {}
|
|
1732
|
+
for var_oxide in list_oxides:
|
|
1733
|
+
oxide_data = OxideCompounds(var_compound=var_oxide, var_amounts=amounts).get_composition()
|
|
1734
|
+
composition_oxides[var_oxide] = round(oxide_data["Oxide"][1], 4)
|
|
1735
|
+
|
|
1736
|
+
if list_oxides[0] not in results_container["compounds"]:
|
|
1737
|
+
for oxide in list_oxides:
|
|
1738
|
+
results_container["compounds"][oxide] = []
|
|
1739
|
+
|
|
1740
|
+
for key, value in composition_oxides.items():
|
|
1741
|
+
results_container["compounds"][key].append(value)
|
|
1742
|
+
|
|
1743
|
+
results_container["mineralogy"] = dict(sorted(
|
|
1744
|
+
results_container["mineralogy"].items(), key=lambda item: sum(item[1])/len(item[1]), reverse=True))
|
|
1745
|
+
results_container["chemistry"] = dict(sorted(
|
|
1746
|
+
results_container["chemistry"].items(), key=lambda item: sum(item[1])/len(item[1]), reverse=True))
|
|
1747
|
+
results_container["compounds"] = dict(sorted(
|
|
1748
|
+
results_container["compounds"].items(), key=lambda item: sum(item[1])/len(item[1]), reverse=True))
|
|
1749
|
+
|
|
1750
|
+
# Results
|
|
1751
|
+
results_container["phi"].append(var_porosity)
|
|
1752
|
+
results_container["rho_s"].append(rho_s)
|
|
1753
|
+
results_container["rho"].append(rho)
|
|
1754
|
+
results_container["vP"].append(vP)
|
|
1755
|
+
results_container["vS"].append(vS)
|
|
1756
|
+
results_container["vP/vS"].append(vPvS)
|
|
1757
|
+
results_container["K"].append(bulk_mod)
|
|
1758
|
+
results_container["G"].append(shear_mod)
|
|
1759
|
+
results_container["E"].append(youngs_mod)
|
|
1760
|
+
results_container["nu"].append(poisson_rat)
|
|
1761
|
+
results_container["GR"].append(gamma_ray)
|
|
1762
|
+
results_container["PE"].append(photoelectricity)
|
|
1763
|
+
#
|
|
1764
|
+
n += 1
|
|
1765
|
+
#
|
|
1766
|
+
return results_container
|
|
1767
|
+
#
|
|
1768
|
+
def create_basaltic_rock_yoder_tilley(self, rock="Basalt", number=1, composition=None, enrichment_pl=None):
|
|
1769
|
+
results_container = {}
|
|
1770
|
+
results_container["rock"] = rock
|
|
1771
|
+
results_container["mineralogy"] = {}
|
|
1772
|
+
results_container["chemistry"] = {}
|
|
1773
|
+
results_container["compounds"] = {}
|
|
1774
|
+
results_container["phi"] = []
|
|
1775
|
+
results_container["fluid"] = self.fluid
|
|
1776
|
+
results_container["rho_s"] = []
|
|
1777
|
+
results_container["rho"] = []
|
|
1778
|
+
results_container["vP"] = []
|
|
1779
|
+
results_container["vS"] = []
|
|
1780
|
+
results_container["vP/vS"] = []
|
|
1781
|
+
results_container["K"] = []
|
|
1782
|
+
results_container["G"] = []
|
|
1783
|
+
results_container["E"] = []
|
|
1784
|
+
results_container["nu"] = []
|
|
1785
|
+
results_container["GR"] = []
|
|
1786
|
+
results_container["PE"] = []
|
|
1787
|
+
#
|
|
1788
|
+
n = 0
|
|
1789
|
+
while n < number:
|
|
1790
|
+
data_olivine = Nesosilicates(impurity="pure", data_type=True).create_olivine()
|
|
1791
|
+
data_plagioclase = Tectosilicates(impurity="pure", data_type=True).create_plagioclase(
|
|
1792
|
+
enrichment=enrichment_pl)
|
|
1793
|
+
data_nepheline = Tectosilicates(impurity="pure", data_type=True).create_nepheline()
|
|
1794
|
+
data_orthopyroxene = Inosilicates(mineral="Orthopyroxene", data_type=True,
|
|
1795
|
+
traces_list=[]).generate_dataset(number=1)
|
|
1796
|
+
data_augite = Inosilicates(impurity="pure", data_type=True).create_augite()
|
|
1797
|
+
#
|
|
1798
|
+
mineralogy = {"Qz": self.data_quartz, "Pl": data_plagioclase, "Nph": data_nepheline,
|
|
1799
|
+
"Opx": data_orthopyroxene, "Aug": data_augite, "Ol": data_olivine}
|
|
1800
|
+
#
|
|
1801
|
+
minerals_list = list(mineralogy.keys())
|
|
1802
|
+
#
|
|
1803
|
+
if minerals_list[0] not in results_container["mineralogy"]:
|
|
1804
|
+
for mineral in minerals_list:
|
|
1805
|
+
results_container["mineralogy"][mineral] = []
|
|
1806
|
+
#
|
|
1807
|
+
condition = False
|
|
1808
|
+
#
|
|
1809
|
+
while condition == False:
|
|
1810
|
+
elements_list = []
|
|
1811
|
+
phi_minerals = {}
|
|
1812
|
+
w_minerals = {}
|
|
1813
|
+
w_elements = {}
|
|
1814
|
+
#
|
|
1815
|
+
if composition != None:
|
|
1816
|
+
phi_qz = composition["Qz"]
|
|
1817
|
+
phi_nph = composition["Nph"]
|
|
1818
|
+
#
|
|
1819
|
+
phi_opx = composition["Opx"]
|
|
1820
|
+
phi_pl = composition["Pl"]
|
|
1821
|
+
phi_ol = composition["Ol"]
|
|
1822
|
+
phi_aug = composition["Aug"]
|
|
1823
|
+
#
|
|
1824
|
+
phi_minerals["Qz"] = phi_qz
|
|
1825
|
+
phi_minerals["Nph"] = phi_nph
|
|
1826
|
+
phi_minerals["Opx"] = phi_opx
|
|
1827
|
+
phi_minerals["Pl"] = phi_pl
|
|
1828
|
+
phi_minerals["Ol"] = phi_ol
|
|
1829
|
+
phi_minerals["Aug"] = phi_aug
|
|
1830
|
+
#
|
|
1831
|
+
else:
|
|
1832
|
+
condition_2 = False
|
|
1833
|
+
while condition_2 == False:
|
|
1834
|
+
magicnumber = rd.randint(0, 2)
|
|
1835
|
+
if magicnumber == 0: # Quartz-Tholeiite
|
|
1836
|
+
qz_limits = [0.0, 1.0]
|
|
1837
|
+
nph_limits = [0.0, 0.0]
|
|
1838
|
+
opx_limits = [0.0, 1.0]
|
|
1839
|
+
pl_limits = [0.0, 1.0]
|
|
1840
|
+
ol_limits = [0.0, 0.0]
|
|
1841
|
+
aug_limits = [0.0, 1.0]
|
|
1842
|
+
elif magicnumber == 1: # Olivine-Tholeiite
|
|
1843
|
+
qz_limits = [0.0, 0.0]
|
|
1844
|
+
nph_limits = [0.0, 0.0]
|
|
1845
|
+
opx_limits = [0.0, 1.0]
|
|
1846
|
+
pl_limits = [0.0, 1.0]
|
|
1847
|
+
ol_limits = [0.0, 1.0]
|
|
1848
|
+
aug_limits = [0.0, 1.0]
|
|
1849
|
+
elif magicnumber == 2: # Alkaline Basalt
|
|
1850
|
+
qz_limits = [0.0, 0.0]
|
|
1851
|
+
nph_limits = [0.0, 1.0]
|
|
1852
|
+
opx_limits = [0.0, 0.0]
|
|
1853
|
+
pl_limits = [0.0, 1.0]
|
|
1854
|
+
ol_limits = [0.0, 1.0]
|
|
1855
|
+
aug_limits = [0.0, 1.0]
|
|
1856
|
+
#
|
|
1857
|
+
phi_aug = round(rd.uniform(aug_limits[0], aug_limits[1]), 4)
|
|
1858
|
+
phi_pl = round(rd.uniform(pl_limits[0], (1.0 - phi_aug)), 4)
|
|
1859
|
+
phi_qz = round(rd.uniform(qz_limits[0], (1.0 - phi_aug - phi_pl)), 4)
|
|
1860
|
+
phi_nph = round(rd.uniform(nph_limits[0], (1.0 - phi_aug - phi_pl - phi_qz)), 4)
|
|
1861
|
+
phi_opx = round(rd.uniform(opx_limits[0], (1.0 - phi_aug - phi_pl - phi_qz - phi_nph)), 4)
|
|
1862
|
+
phi_ol = round(1.0 - phi_aug - phi_pl - phi_qz - phi_nph - phi_opx, 4)
|
|
1863
|
+
#
|
|
1864
|
+
phi_total = phi_aug + phi_pl + phi_qz + phi_nph + phi_opx + phi_ol
|
|
1865
|
+
#
|
|
1866
|
+
if np.isclose(phi_total, 1.0000) == True:
|
|
1867
|
+
if aug_limits[0] <= phi_aug <= aug_limits[1] \
|
|
1868
|
+
and pl_limits[0] <= phi_pl <= pl_limits[1] \
|
|
1869
|
+
and qz_limits[0] <= phi_qz <= qz_limits[1] \
|
|
1870
|
+
and nph_limits[0] <= phi_nph <= nph_limits[1] \
|
|
1871
|
+
and opx_limits[0] <= phi_opx <= opx_limits[1] \
|
|
1872
|
+
and ol_limits[0] <= phi_ol <= ol_limits[1]:
|
|
1873
|
+
condition_2 = True
|
|
1874
|
+
#
|
|
1875
|
+
phi_minerals["Qz"] = phi_qz
|
|
1876
|
+
phi_minerals["Nph"] = phi_nph
|
|
1877
|
+
#
|
|
1878
|
+
phi_minerals["Aug"] = phi_aug
|
|
1879
|
+
phi_minerals["Pl"] = phi_pl
|
|
1880
|
+
phi_minerals["Ol"] = phi_ol
|
|
1881
|
+
phi_minerals["Opx"] = phi_opx
|
|
1882
|
+
#
|
|
1883
|
+
rho_s = 0
|
|
1884
|
+
for key, value in phi_minerals.items():
|
|
1885
|
+
try:
|
|
1886
|
+
rho_s += phi_minerals[key]*mineralogy[key]["rho"]
|
|
1887
|
+
except:
|
|
1888
|
+
rho_s += phi_minerals[key]*mineralogy[key]["rho"][0]
|
|
1889
|
+
for element, value in mineralogy[key]["chemistry"].items():
|
|
1890
|
+
if element not in elements_list:
|
|
1891
|
+
elements_list.append(element)
|
|
1892
|
+
w_elements[element] = 0.0
|
|
1893
|
+
#
|
|
1894
|
+
if elements_list[0] not in results_container["chemistry"]:
|
|
1895
|
+
for element in elements_list:
|
|
1896
|
+
results_container["chemistry"][element] = []
|
|
1897
|
+
#
|
|
1898
|
+
rho_s = round(rho_s, 3)
|
|
1899
|
+
for key, value in phi_minerals.items():
|
|
1900
|
+
if key == "Urn":
|
|
1901
|
+
n_digits = 6
|
|
1902
|
+
else:
|
|
1903
|
+
n_digits = 6
|
|
1904
|
+
#
|
|
1905
|
+
try:
|
|
1906
|
+
w_minerals[key] = round((phi_minerals[key]*mineralogy[key]["rho"])/rho_s, n_digits)
|
|
1907
|
+
except:
|
|
1908
|
+
w_minerals[key] = round((phi_minerals[key]*mineralogy[key]["rho"][0])/rho_s, n_digits)
|
|
1909
|
+
#
|
|
1910
|
+
if self.porosity == None:
|
|
1911
|
+
var_porosity = round(rd.uniform(0.0, 0.1), 4)
|
|
1912
|
+
else:
|
|
1913
|
+
var_porosity = round(rd.uniform(self.porosity[0], self.porosity[1]), 4)
|
|
1914
|
+
#
|
|
1915
|
+
if self.fluid == "water":
|
|
1916
|
+
data_fluid = self.data_water
|
|
1917
|
+
elif self.fluid == "oil":
|
|
1918
|
+
data_fluid = self.data_oil
|
|
1919
|
+
elif self.fluid == "gas":
|
|
1920
|
+
data_fluid = self.data_gas
|
|
1921
|
+
#
|
|
1922
|
+
rho = round((1 - var_porosity)*rho_s + var_porosity*data_fluid[2]/1000, 3)
|
|
1923
|
+
#
|
|
1924
|
+
old_index = elements_list.index("O")
|
|
1925
|
+
elements_list += [elements_list.pop(old_index)]
|
|
1926
|
+
#
|
|
1927
|
+
w_elements_total = 0.0
|
|
1928
|
+
for element in elements_list:
|
|
1929
|
+
if element != "O":
|
|
1930
|
+
for mineral, w_mineral in w_minerals.items():
|
|
1931
|
+
if element in mineralogy[mineral]["chemistry"]:
|
|
1932
|
+
if element == "U":
|
|
1933
|
+
n_digits = 6
|
|
1934
|
+
else:
|
|
1935
|
+
n_digits = 6
|
|
1936
|
+
#
|
|
1937
|
+
try:
|
|
1938
|
+
value = round(w_mineral*mineralogy[mineral]["chemistry"][element], n_digits)
|
|
1939
|
+
except:
|
|
1940
|
+
value = round(w_mineral*mineralogy[mineral]["chemistry"][element][0], n_digits)
|
|
1941
|
+
w_elements[element] += value
|
|
1942
|
+
w_elements_total += value
|
|
1943
|
+
#
|
|
1944
|
+
w_elements[element] = round(w_elements[element], n_digits)
|
|
1945
|
+
elif element == "O":
|
|
1946
|
+
w_elements[element] += round(1 - w_elements_total, 6)
|
|
1947
|
+
#
|
|
1948
|
+
w_elements[element] = round(w_elements[element], 6)
|
|
1949
|
+
#
|
|
1950
|
+
if sum(w_minerals.values()) == 1.0 and sum(w_elements.values()) == 1.0:
|
|
1951
|
+
for key, value in w_minerals.items():
|
|
1952
|
+
w_minerals[key] = abs(value)
|
|
1953
|
+
#
|
|
1954
|
+
for key, value in w_elements.items():
|
|
1955
|
+
w_elements[key] = abs(value)
|
|
1956
|
+
#
|
|
1957
|
+
condition = True
|
|
1958
|
+
#
|
|
1959
|
+
bulk_mod = 0.0
|
|
1960
|
+
shear_mod = 0.0
|
|
1961
|
+
gamma_ray = 0.0
|
|
1962
|
+
photoelectricity = 0.0
|
|
1963
|
+
#
|
|
1964
|
+
K_list = []
|
|
1965
|
+
G_list = []
|
|
1966
|
+
phi_list = []
|
|
1967
|
+
for key, value in phi_minerals.items():
|
|
1968
|
+
try:
|
|
1969
|
+
gamma_ray += phi_minerals[key]*mineralogy[key]["GR"]
|
|
1970
|
+
photoelectricity += phi_minerals[key]*mineralogy[key]["PE"]
|
|
1971
|
+
#
|
|
1972
|
+
gamma_ray = round(gamma_ray, 3)
|
|
1973
|
+
photoelectricity = round(photoelectricity, 3)
|
|
1974
|
+
#
|
|
1975
|
+
K_list.append(round(phi_minerals[key]*mineralogy[key]["K"], 3))
|
|
1976
|
+
G_list.append(round(phi_minerals[key]*mineralogy[key]["G"], 3))
|
|
1977
|
+
phi_list.append(phi_minerals[key])
|
|
1978
|
+
except:
|
|
1979
|
+
gamma_ray += phi_minerals[key]*mineralogy[key]["GR"][0]
|
|
1980
|
+
photoelectricity += phi_minerals[key]*mineralogy[key]["PE"][0]
|
|
1981
|
+
#
|
|
1982
|
+
gamma_ray = round(gamma_ray, 3)
|
|
1983
|
+
photoelectricity = round(photoelectricity, 3)
|
|
1984
|
+
#
|
|
1985
|
+
K_list.append(round(phi_minerals[key]*mineralogy[key]["K"][0], 3))
|
|
1986
|
+
G_list.append(round(phi_minerals[key]*mineralogy[key]["G"][0], 3))
|
|
1987
|
+
phi_list.append(phi_minerals[key])
|
|
1988
|
+
#
|
|
1989
|
+
K_geo = elast.calc_geometric_mean(self, phi_list, K_list)
|
|
1990
|
+
G_geo = elast.calc_geometric_mean(self, phi_list, G_list)
|
|
1991
|
+
#
|
|
1992
|
+
# anisotropic_factor = round(rd.uniform(1.0, 2.0), 4)
|
|
1993
|
+
anisotropic_factor = 1.0
|
|
1994
|
+
#
|
|
1995
|
+
bulk_mod = K_geo/anisotropic_factor
|
|
1996
|
+
shear_mod = G_geo/anisotropic_factor
|
|
1997
|
+
#
|
|
1998
|
+
youngs_mod = round((9*bulk_mod*shear_mod)/(3*bulk_mod + shear_mod), 3)
|
|
1999
|
+
poisson_rat = round((3*bulk_mod - 2*shear_mod)/(6*bulk_mod + 2*shear_mod), 6)
|
|
2000
|
+
vP = round(((bulk_mod*10**9 + 4/3*shear_mod*10**9)/(rho))**0.5, 3)
|
|
2001
|
+
vS = round(((shear_mod*10**9)/(rho))**0.5, 3)
|
|
2002
|
+
vPvS = round(vP/vS, 6)
|
|
2003
|
+
# Composition data
|
|
2004
|
+
for key, value in w_minerals.items():
|
|
2005
|
+
results_container["mineralogy"][key].append(value)
|
|
2006
|
+
|
|
2007
|
+
amounts = []
|
|
2008
|
+
for key, value in w_elements.items():
|
|
2009
|
+
results_container["chemistry"][key].append(value)
|
|
2010
|
+
chem_data = PeriodicSystem(name=key).get_data()
|
|
2011
|
+
amounts.append([key, chem_data[1], value])
|
|
2012
|
+
|
|
2013
|
+
list_elements = list(w_elements.keys())
|
|
2014
|
+
list_oxides = OxideCompounds(var_list_elements=list_elements).find_oxides()
|
|
2015
|
+
composition_oxides = {}
|
|
2016
|
+
for var_oxide in list_oxides:
|
|
2017
|
+
oxide_data = OxideCompounds(var_compound=var_oxide, var_amounts=amounts).get_composition()
|
|
2018
|
+
composition_oxides[var_oxide] = round(oxide_data["Oxide"][1], 4)
|
|
2019
|
+
|
|
2020
|
+
if list_oxides[0] not in results_container["compounds"]:
|
|
2021
|
+
for oxide in list_oxides:
|
|
2022
|
+
results_container["compounds"][oxide] = []
|
|
2023
|
+
|
|
2024
|
+
for key, value in composition_oxides.items():
|
|
2025
|
+
results_container["compounds"][key].append(value)
|
|
2026
|
+
|
|
2027
|
+
# Results
|
|
2028
|
+
results_container["phi"].append(var_porosity)
|
|
2029
|
+
results_container["rho_s"].append(rho_s)
|
|
2030
|
+
results_container["rho"].append(rho)
|
|
2031
|
+
results_container["vP"].append(vP)
|
|
2032
|
+
results_container["vS"].append(vS)
|
|
2033
|
+
results_container["vP/vS"].append(vPvS)
|
|
2034
|
+
results_container["K"].append(bulk_mod)
|
|
2035
|
+
results_container["G"].append(shear_mod)
|
|
2036
|
+
results_container["E"].append(youngs_mod)
|
|
2037
|
+
results_container["nu"].append(poisson_rat)
|
|
2038
|
+
results_container["GR"].append(gamma_ray)
|
|
2039
|
+
results_container["PE"].append(photoelectricity)
|
|
2040
|
+
#
|
|
2041
|
+
n += 1
|
|
2042
|
+
#
|
|
2043
|
+
return results_container
|
|
2044
|
+
|
|
2045
|
+
class Pyroclastic:
|
|
2046
|
+
#
|
|
2047
|
+
def __init__(self, fluid, actualThickness):
|
|
2048
|
+
self.fluid = fluid
|
|
2049
|
+
self.actualThickness = actualThickness
|
|
2050
|
+
#
|
|
2051
|
+
self.data_quartz = Oxides(impurity="pure", data_type=True).create_quartz()
|
|
2052
|
+
self.data_water = Water.water("")
|
|
2053
|
+
#
|
|
2054
|
+
def create_pyroclastic_rock(self, number=1, composition=None, porosity=None):
|
|
2055
|
+
data_olivine = Nesosilicates(impurity="pure", data_type=True).create_olivine()
|
|
2056
|
+
data_orthopyroxene = Inosilicates(impurity="pure", data_type=True).create_orthopyroxene()
|
|
2057
|
+
data_nepheline = Tectosilicates(impurity="pure", data_type=True).create_nepheline()
|
|
2058
|
+
#
|
|
2059
|
+
mineralogy = {"Qz": self.data_quartz, "Ol": data_olivine, "Opx": data_orthopyroxene, "Nph": data_nepheline}
|
|
2060
|
+
#
|
|
2061
|
+
condition = False
|
|
2062
|
+
#
|
|
2063
|
+
while condition == False:
|
|
2064
|
+
elements_list = []
|
|
2065
|
+
phi_minerals = {}
|
|
2066
|
+
w_minerals = {}
|
|
2067
|
+
w_elements = {}
|
|
2068
|
+
#
|
|
2069
|
+
if composition != None:
|
|
2070
|
+
phi_qz = composition["Qz"]
|
|
2071
|
+
phi_Ol = composition["Ol"]
|
|
2072
|
+
phi_Opx = composition["Opx"]
|
|
2073
|
+
phi_Nph = composition["Nph"]
|
|
2074
|
+
#
|
|
2075
|
+
phi_minerals["Qz"] = phi_qz
|
|
2076
|
+
phi_minerals["Ol"] = phi_Ol
|
|
2077
|
+
phi_minerals["Opx"] = phi_Opx
|
|
2078
|
+
phi_minerals["Nph"] = phi_Nph
|
|
2079
|
+
else:
|
|
2080
|
+
condition_2 = False
|
|
2081
|
+
while condition_2 == False:
|
|
2082
|
+
x = rd.randint(0, 1)
|
|
2083
|
+
phi_qz = round(x*rd.uniform(0.2, 0.6), 4)
|
|
2084
|
+
phi_nph = round((1 - x)*rd.uniform(0.2, 0.6), 4)
|
|
2085
|
+
phi_ol = round(rd.uniform(0.25, (1.0 - phi_qz)), 4)
|
|
2086
|
+
phi_opx = round(1 - phi_qz - phi_ol - phi_nph, 4)
|
|
2087
|
+
phi_total = phi_qz + phi_ol + phi_opx + phi_nph
|
|
2088
|
+
#
|
|
2089
|
+
if np.isclose(phi_total, 1.0000) == True:
|
|
2090
|
+
if 0.0 <= phi_qz <= 0.6 and 0.25 <= phi_ol <= 0.75 and 0.05 <= phi_opx <= 0.15 and 0.0 <= phi_nph <= 0.6:
|
|
2091
|
+
condition_2 = True
|
|
2092
|
+
#
|
|
2093
|
+
phi_minerals["Qz"] = phi_qz
|
|
2094
|
+
phi_minerals["Ol"] = phi_ol
|
|
2095
|
+
phi_minerals["Opx"] = phi_opx
|
|
2096
|
+
phi_minerals["Nph"] = phi_nph
|
|
2097
|
+
#
|
|
2098
|
+
rho_s = 0
|
|
2099
|
+
for key, value in phi_minerals.items():
|
|
2100
|
+
rho_s += phi_minerals[key] * mineralogy[key]["rho"]
|
|
2101
|
+
for element, value in mineralogy[key]["chemistry"].items():
|
|
2102
|
+
if element not in elements_list:
|
|
2103
|
+
elements_list.append(element)
|
|
2104
|
+
w_elements[element] = 0.0
|
|
2105
|
+
rho_s = round(rho_s, 3)
|
|
2106
|
+
for key, value in phi_minerals.items():
|
|
2107
|
+
w_minerals[key] = round((phi_minerals[key] * mineralogy[key]["rho"]) / rho_s, 4)
|
|
2108
|
+
#
|
|
2109
|
+
if porosity == None:
|
|
2110
|
+
porosity = round(rd.uniform(0.1, 0.5), 4)
|
|
2111
|
+
rho = round((1 - porosity) * rho_s + porosity * self.data_water[2] / 1000, 3)
|
|
2112
|
+
#
|
|
2113
|
+
old_index = elements_list.index("O")
|
|
2114
|
+
elements_list += [elements_list.pop(old_index)]
|
|
2115
|
+
#
|
|
2116
|
+
w_elements_total = 0.0
|
|
2117
|
+
for element in elements_list:
|
|
2118
|
+
if element != "O":
|
|
2119
|
+
for mineral, w_mineral in w_minerals.items():
|
|
2120
|
+
if element in mineralogy[mineral]["chemistry"]:
|
|
2121
|
+
value = round(w_mineral * mineralogy[mineral]["chemistry"][element], 4)
|
|
2122
|
+
w_elements[element] += value
|
|
2123
|
+
w_elements_total += value
|
|
2124
|
+
#
|
|
2125
|
+
w_elements[element] = round(w_elements[element], 4)
|
|
2126
|
+
elif element == "O":
|
|
2127
|
+
w_elements[element] += round(1 - w_elements_total, 4)
|
|
2128
|
+
#
|
|
2129
|
+
w_elements[element] = round(w_elements[element], 4)
|
|
2130
|
+
#
|
|
2131
|
+
if sum(w_minerals.values()) == 1.0 and sum(w_elements.values()) == 1.0:
|
|
2132
|
+
condition = True
|
|
2133
|
+
#
|
|
2134
|
+
bulk_mod = 0.0
|
|
2135
|
+
shear_mod = 0.0
|
|
2136
|
+
gamma_ray = 0.0
|
|
2137
|
+
photoelectricity = 0.0
|
|
2138
|
+
for key, value in phi_minerals.items():
|
|
2139
|
+
bulk_mod += phi_minerals[key] * mineralogy[key]["K"]
|
|
2140
|
+
shear_mod += phi_minerals[key] * mineralogy[key]["G"]
|
|
2141
|
+
gamma_ray += phi_minerals[key] * mineralogy[key]["GR"]
|
|
2142
|
+
photoelectricity += phi_minerals[key] * mineralogy[key]["PE"]
|
|
2143
|
+
#
|
|
2144
|
+
bulk_mod = round(bulk_mod, 3)
|
|
2145
|
+
shear_mod = round(shear_mod, 3)
|
|
2146
|
+
gamma_ray = round(gamma_ray, 3)
|
|
2147
|
+
photoelectricity = round(photoelectricity, 3)
|
|
2148
|
+
#
|
|
2149
|
+
youngs_mod = round((9 * bulk_mod * shear_mod) / (3 * bulk_mod + shear_mod), 3)
|
|
2150
|
+
poisson_rat = round((3 * bulk_mod - 2 * shear_mod) / (6 * bulk_mod + 2 * shear_mod), 4)
|
|
2151
|
+
vP = round(((bulk_mod * 10 ** 9 + 4 / 3 * shear_mod * 10 ** 9) / (rho)) ** 0.5, 3)
|
|
2152
|
+
vS = round(((shear_mod * 10 ** 9) / (rho)) ** 0.5, 3)
|
|
2153
|
+
vPvS = round(vP / vS, 3)
|
|
2154
|
+
#
|
|
2155
|
+
results = {}
|
|
2156
|
+
results["rock"] = "Pyroclastic Rock"
|
|
2157
|
+
if number > 1:
|
|
2158
|
+
results["mineralogy"] = w_minerals
|
|
2159
|
+
results["chemistry"] = w_elements
|
|
2160
|
+
results["phi"] = porosity
|
|
2161
|
+
results["fluid"] = "water"
|
|
2162
|
+
results["rho_s"] = rho_s
|
|
2163
|
+
results["rho"] = rho
|
|
2164
|
+
results["vP"] = vP
|
|
2165
|
+
results["vS"] = vS
|
|
2166
|
+
results["vP/vS"] = vPvS
|
|
2167
|
+
results["K"] = bulk_mod
|
|
2168
|
+
results["G"] = shear_mod
|
|
2169
|
+
results["E"] = youngs_mod
|
|
2170
|
+
results["nu"] = poisson_rat
|
|
2171
|
+
results["GR"] = gamma_ray
|
|
2172
|
+
results["PE"] = photoelectricity
|
|
2173
|
+
else:
|
|
2174
|
+
single_amounts_mineralogy = {}
|
|
2175
|
+
single_amounts_chemistry = {}
|
|
2176
|
+
for mineral, value in w_minerals.items():
|
|
2177
|
+
single_amounts_mineralogy[mineral] = value
|
|
2178
|
+
for element, value in w_elements.items():
|
|
2179
|
+
single_amounts_chemistry[element] = value
|
|
2180
|
+
results["mineralogy"] = single_amounts_mineralogy
|
|
2181
|
+
results["chemistry"] = single_amounts_chemistry
|
|
2182
|
+
results["phi"] = porosity
|
|
2183
|
+
results["fluid"] = "water"
|
|
2184
|
+
results["rho_s"] = rho_s
|
|
2185
|
+
results["rho"] = rho
|
|
2186
|
+
results["vP"] = vP
|
|
2187
|
+
results["vS"] = vS
|
|
2188
|
+
results["vP/vS"] = vPvS
|
|
2189
|
+
results["K"] = bulk_mod
|
|
2190
|
+
results["G"] = shear_mod
|
|
2191
|
+
results["E"] = youngs_mod
|
|
2192
|
+
results["nu"] = poisson_rat
|
|
2193
|
+
results["GR"] = gamma_ray
|
|
2194
|
+
results["PE"] = photoelectricity
|
|
2195
|
+
#
|
|
2196
|
+
return results
|