Implementation of Peng-Robinson EoS#641

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gkogekar wants to merge 110 commits into

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gkogekar:Peng-Robinson

Commits on Mar 19, 2021

Implementation of Peng-Robinson equation of state.

Gandhali Kogekar
authored and
gkogekar
committed
Updating PengRobinsonMFTP_Test to clarify test composition.

decaluwe
authored and
gkogekar
committed
Removing MFTP suffix from PengRobinson class

decaluwe
authored and
gkogekar
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Renaming TKelvin and cleaning up unused variables in PengRobinson.cpp

decaluwe
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gkogekar
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Abstracting thermo calcs from PengRobinson and RedlichKwong up to MixtureFugacityTP

decaluwe
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gkogekar
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Abstracting cubic solver to MixtureFugacityTP thermo class.

decaluwe
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gkogekar
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Add capability to load Peng Robinson via YAML.

decaluwe
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gkogekar
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Removing xml and cti capabilities from thermo::PengRobinson.

decaluwe
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gkogekar
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Fix species coefficient updates in PengRobinson.

decaluwe
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gkogekar
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Deleting test/data/co2_PR_example.cti

decaluwe
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gkogekar
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Fixing location of critProperties.xml referenced in thermo/PengRobinson.h

decaluwe
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gkogekar
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Deleting commented code in thermo/PengRobinson.cpp

decaluwe
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gkogekar
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Adding ThermoFromYAML:PengRobinson_CO2 test

decaluwe
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gkogekar
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Remove unnecessary overrides in MixtureFugacityTP and children

speth
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gkogekar
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Creating python test for PengRobinson thermo class.

decaluwe
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gkogekar
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Fixing indent error in PengRobinson::updateMixingExpressions

decaluwe
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gkogekar
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Testing critical property lookup for PengRobinson.

decaluwe
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gkogekar
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Adding cubic solver test

decaluwe
authored and
gkogekar
committed
Add functions for factory alias management

speth
authored and
gkogekar
committed
Implementation of Peng-Robinson equation of state.

Gandhali Kogekar
authored and
gkogekar
committed
Removing MFTP suffix from PengRobinson class

decaluwe
authored and
gkogekar
committed
Changing 'bad' to 'poorly' in MixtureFugacity TP error message

decaluwe
authored and
gkogekar
committed
Fixing typo in previous commit.

decaluwe
authored and
gkogekar
committed
Fixing up merge conflicts in PengRobinson_Test.cpp

decaluwe
authored and
gkogekar
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Cleaning up typos and merge conflicts.

decaluwe
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gkogekar
committed
Fixing Peng-Robinson aliasing in ThermoFactory.

decaluwe
authored and
gkogekar
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Fixing merge conflicts in PengRobinson_Test

decaluwe
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gkogekar
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Adding following tests to PengRobinson_Test.cpp to verify that

gkogekar
authored and
gkogekar
committed
Fixing indexing error in PengRobinson:d2aAlpha_dT2

decaluwe
authored and
gkogekar
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Cleaning up thermo/PengRobinson

decaluwe
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gkogekar
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Rename Nichols cubic solve methods as `cubicSolve`

decaluwe
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gkogekar
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Adding detailed comments for cubic solver
gkogekar
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Modifying pengRobinson test from thermoFromYAML
gkogekar
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Moved setToEquil function to the parent class, 'MixtureFugacityTP".
gkogekar
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Removing dependancy of EoS specific omega_a, omega_b parameters from solveCubic
gkogekar
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Cleaning up the redundant code, correcting indentations and tabs
gkogekar
committed
Removed redundant calculations using a 2D array aAlpha_coeff_vec
gkogekar
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Redefined species specific internal functions as protected instead of public.
gkogekar
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Removing getChemPotentials_RT function from PengRobinsonMFTP since it is
gkogekar
committed
Removing a_coeff_vec to avoid duplication and using m_a_vec_Curr instead everywhere.
gkogekar
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Fixing indentation and white spaces

gkogekar
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gkogekar
committed
Modifying comments and correcting typos

gkogekar
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gkogekar
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Replacing line endings with LF instead of CRLF

gkogekar
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gkogekar
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Modified Peng-Robinson to test file to read phase from

gkogekar
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gkogekar
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clearing the merge-conflict

gkogekar
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gkogekar
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Modifying the explaination for solveCubic function to be more clear and

gkogekar
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gkogekar
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Adding a python test in interface/cython test suite

gkogekar
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gkogekar
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Fixing error in test_thermo.py

gkogekar
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gkogekar
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Indentation changes in the PengRobinson.cpp

authored and
gkogekar
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Update include/cantera/thermo/PengRobinson.h

authored and
gkogekar
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Removing unused parameter m_formTempParam
gkogekar
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Removed the changes for P-R EoS model in ctml_writer.py, since the
gkogekar
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Replacing doublereal with double in entropy_mole function declaration
gkogekar
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Removing documentation for getChemPotential function
gkogekar
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Correcting the documentation for 'setSpeciesCoeff' and 'setBinaryCoeff'
gkogekar
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Removing duplication of a temp array declaration from the child classes
gkogekar
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Replacing tab character with spaces
gkogekar
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Correcting the documentation for 'setBinaryCoeff' function
gkogekar
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Correcting documentation in PengRobinson.h file
gkogekar
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Added dimensions of certain vectors in the documentation
gkogekar
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Changed the function name 'pressureDerivatives' to
gkogekar
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Moved 'calculateAlpha' inside the 'setSpeciesCoeff' function
gkogekar
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Changing InitThermo() to remove unused parameter a1
gkogekar
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Removing 'PengRobinsonMFTP' alias
gkogekar
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Cleaning up unnessesary comments.
gkogekar
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Removing 'setToEquil' function from mixtureFugacityTP class
gkogekar
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Changing operating conditions in the pengRobinson test case
gkogekar
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Removing redundant test from PengRobinson class tests
gkogekar
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Correcting the commented documentation
gkogekar
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Implementation of partial internal energies
gkogekar
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Cleaning up functions to calculate critical properties in Redlich-Kwong
gkogekar
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Defined m_a_vec_curr as the array2D type to simplify index calculations
gkogekar
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Adding missing P-R coefficients for CO2 in co2_PR_example.yaml file
gkogekar
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Redefined variable type for coefficient `a' in P-R EoS as scalar from vector
gkogekar
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Reading w_ac (acentric factor) with a more useful message that will
gkogekar
committed
Correcting CRLF Line endings.

decaluwe
authored and
gkogekar
committed
Rebasing with Cantera/main
gkogekar
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Removing redundant _updateStateThermo() call from thermodynamic
gkogekar
committed
Combining file-base and default constructors for PengRobinson class
gkogekar
committed
Fixing error for Peng-Robinson alias in ThermoFactory.cpp
gkogekar
committed
Cleaning up 'thermoFromYaml.cpp'
gkogekar
committed

Commits on Mar 20, 2021

Updating PengRobinson test from thermoFromYaml.cpp
gkogekar
committed

Commits on Mar 21, 2021

Commits on Apr 14, 2021

Commits on Apr 15, 2021

Commits on Apr 16, 2021