minplascalc 0.7.0__py3-none-any.whl

minplascalc/data/species/SiO+.json

@@ -0,0 +1,25 @@
+{
+    "name": "SiO+",
+    "stoichiometry": {
+        "O": 1,
+        "Si": 1
+    },
+    "molarmass": 0.04408435642009093,
+    "chargenumber": 1,
+    "polarisability": 4.149e-30,
+    "multiplicity": 2,
+    "effectiveelectrons": null,
+    "electroncrosssection": null,
+    "emissionlines": [],
+    "dissociationenergy": Infinity,
+    "ionisationenergy": Infinity,
+    "sigma_s": 1,
+    "g0": 2,
+    "w_e": 2.1791318279319545e-20,
+    "b_e": 1.3726345424803833e-23,
+    "sources": [
+        "RD Johnson III (ed). NIST Computational Chemistry Comparison and Benchmark Database, NIST Standard Reference Database Number 101 Release 22, May 2022, http://cccbdb.nist.gov/, DOI: http://doi.org/10.18434/T47C7Z",
+        "PJ Linstrom and WG Mallard (eds). NIST Chemistry WebBook, NIST Standard Reference Database Number 69, DOI: https://doi.org/10.18434/T4D303",
+        "G Venter, University of Cape Town, private communications 2024"
+    ]
+}

minplascalc/data/species/SiO.json

@@ -0,0 +1,30 @@
+{
+    "name": "SiO",
+    "stoichiometry": {
+        "O": 1,
+        "Si": 1
+    },
+    "molarmass": 0.044084905,
+    "chargenumber": 0,
+    "polarisability": 3.962e-30,
+    "multiplicity": 1,
+    "effectiveelectrons": 10.495867768595042,
+    "electroncrosssection": [
+        2.4197353805530404e-19,
+        0.0,
+        0.0,
+        0.0
+    ],
+    "emissionlines": [],
+    "dissociationenergy": 1.3251101756047297e-18,
+    "ionisationenergy": 1.840900952466e-18,
+    "sigma_s": 1,
+    "g0": 1,
+    "w_e": 2.466272671803936e-20,
+    "b_e": 1.4436523891592904e-23,
+    "sources": [
+        "RD Johnson III (ed). NIST Computational Chemistry Comparison and Benchmark Database, NIST Standard Reference Database Number 101 Release 22, May 2022, http://cccbdb.nist.gov/, DOI: http://doi.org/10.18434/T47C7Z",
+        "PJ Linstrom and WG Mallard (eds). NIST Chemistry WebBook, NIST Standard Reference Database Number 69, DOI: https://doi.org/10.18434/T4D303",
+        "G Venter, University of Cape Town, private communications 2024"
+    ]
+}

minplascalc-0.7.0.dist-info/METADATA

@@ -0,0 +1,99 @@
+Metadata-Version: 2.4
+Name: minplascalc
+Version: 0.7.0
+Summary: A simple set of tools for doing calculations of thermal plasma compositions relevant to metallurgical problems using Python 3
+Project-URL: Homepage, https://github.com/quinnreynolds/minplascalc
+Author-email: Quinn Reynolds <quinnr@mintek.co.za>
+License: GPLv3
+License-File: LICENSE
+Keywords: composition,gibbs,plasma
+Classifier: Development Status :: 3 - Alpha
+Classifier: Intended Audience :: Science/Research
+Classifier: License :: OSI Approved :: GNU General Public License v3 (GPLv3)
+Classifier: Programming Language :: Python :: 3.5
+Classifier: Programming Language :: Python :: 3.6
+Classifier: Topic :: Scientific/Engineering :: Chemistry
+Classifier: Topic :: Scientific/Engineering :: Physics
+Requires-Python: >=3.5
+Requires-Dist: numpy
+Requires-Dist: scipy>=1.4
+Description-Content-Type: text/x-rst
+
+README
+======
+
+.. image:: https://github.com/quinnreynolds/minplascalc/actions/workflows/test.yaml/badge.svg
+    :target: https://github.com/quinnreynolds/minplascalc/actions
+
+.. image:: https://readthedocs.org/projects/minplascalc/badge/?version=latest
+    :target: https://minplascalc.readthedocs.io/en/latest/?badge=latest
+    :alt: Documentation Status
+
+A simple set of tools in Python 3 for doing calculations of thermal plasma
+compositions relevant to metallurgical problems.
+
+*Quinn Reynolds, MINTEK Pyrometallurgy Division, 2018-present*
+
+What is this repository for?
+----------------------------
+
+* You're here because you want to calculate plasma compositions,
+  thermodynamics, and physical and radiative properties. This package will
+  do most of those things for LTE plasmas, to varying degrees of fidelity.
+* Version 0.x alpha
+
+How do I get set up?
+--------------------
+
+* Getting started: Clone the repo. You'll get the package and some 
+  test drivers.
+* We use `uv <https://docs.astral.sh/uv/>`_. You will need to install it before proceeding.
+* Run ``uv sync`` to create a virtual environment at ``.venv`` with the necessary
+  dependencies.
+* How to run tests: simply run ``uv run pytest`` in the root directory.
+
+Contribution guidelines
+-----------------------
+
+* Writing tests: TBC
+* Code review: TBC
+* Other guidelines: TBC
+
+Who do I talk to?
+-----------------
+
+* quinnr@mintek.co.za
+
+References
+----------
+
+* MI Boulos, P Fauchais, and E Pfender. Thermal Plasmas: Fundamentals and 
+  Applications Volume 1, *Plenum Press*, New York NY, 1994
+* S Chapman and TG Cowling. The Mathematical Theory of Non-Uniform Gases 
+  3\ :sup:`ed`\, *Cambridge University Press*, Cambridge, United Kingdom,
+  1970
+* JC Stewart and KD Pyatt Jr. Lowering of Ionization Potentials in Plasmas, 
+  *The Astrophysical Journal*, 144, 1966, 1203-1211
+* GJ Dunn and TW Eagar. Calculation of Electrical and Thermal 
+  Conductivities of Metallurgical Plasmas,
+  *Welding Research Council*, Bulletin 357, 1990
+* RS Devoto. Transport Properties of Ionized Monatomic Gases, 
+  *The Physics of Fluids*, 9(6), 1966, 1230-1240
+* RS Devoto. Transport Coefficients of Partially Ionized Argon, 
+  *The Physics of Fluids*, 10(2), 1967, 354-364
+* A Laricchiuta, G Colonna, D Bruno, R Celiberto, C Gorse, F Pirani, and 
+  M Capitelli. Classical transport collision integrals for a Lennard-Jones
+  like phenomenological model potential, *Chemical Physical Letters*, 445,
+  2007, 133-139
+* A Kramida, Yu Ralchenko, J Reader, and NIST ASD Team. NIST Atomic Spectra 
+  Database (ver. 5.3) [Online],
+  *National Institute of Standards and Technology*, Gaithersburg MD,
+  http://physics.nist.gov/asd
+* PJ Linstrom and WG Mallard (ed). NIST Chemistry WebBook, NIST 
+  Standard Reference Database Number 69.
+  *National Institute of Standards and Technology*, Gaithersburg MD,
+  http://webbook.nist.gov/chemistry/
+* RD Johnson III (ed). NIST Chemistry WebBook, NIST Computational 
+  Chemistry Comparison and Benchmark Database Release 22.
+  *National Institute of Standards and Technology*, Gaithersburg MD,
+  http://cccbdb.nist.gov/

minplascalc-0.7.0.dist-info/RECORD

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minplascalc-0.7.0.dist-info/WHEEL

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+Wheel-Version: 1.0
+Generator: hatchling 1.27.0
+Root-Is-Purelib: true
+Tag: py3-none-any