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ceptr:Improved T polynomial in mechanism.H#13

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terencelehmann merged 2 commits intopush_branchfrom
jf_ceptr_thermo
Apr 4, 2025
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ceptr:Improved T polynomial in mechanism.H#13
terencelehmann merged 2 commits intopush_branchfrom
jf_ceptr_thermo

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@JustinFreiberger
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@JustinFreiberger JustinFreiberger commented Jan 22, 2025

Adjusted the way the equations, regarding the Temperature calculations T2, T3 and T4, were formulated in thermo.py

@terencelehmann
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terencelehmann commented Jan 22, 2025

Close #12

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Please update the description of the merge request.

@terencelehmann terencelehmann changed the base branch from development to push_branch April 4, 2025 08:43
@terencelehmann terencelehmann changed the title ceptr:Improved T polynomial ceptr:Improved T polynomial in mechanism.H Apr 4, 2025
@terencelehmann terencelehmann merged commit 3edb3ef into push_branch Apr 4, 2025
@terencelehmann terencelehmann deleted the jf_ceptr_thermo branch April 4, 2025 16:42
ThomasHowarth added a commit that referenced this pull request Jul 28, 2025
…MReX-Combustion#595)

* changed size of dbin

* adjusted the way COFD is saved in transport, and used in simple

* fixed my weird iterating and made it map vertically, not horizontaly

* changed the iteratios through dbin and calculations of Ddiag

* tweaked the calculations for the diffusivities

* adjusting the SRK diffusion

* adjusted the array size in TransportParams

* fixed an error with the implementation of the mole fraction within my equation

* added mechanism.* to branch

* ceptr:Improved T polynomial in mechanism.H(#13)

Instead of evaluation T2= T*T and T3=T*T*T do T3=T2*T
Co-authored-by: Terence Lehmann <[email protected]>

* ran some clang formatting on Simple.H

* ran clang format over transport.py

* more formatting

* remade almost all of the mechanisms

* cleaned up the code for the push

* Fix comments

* Fix comments 2

* changed size of dbin

* adjusted the way COFD is saved in transport, and used in simple

* fixed my weird iterating and made it map vertically, not horizontaly

* changed the iteratios through dbin and calculations of Ddiag

* tweaked the calculations for the diffusivities

* adjusting the SRK diffusion

* adjusted the array size in TransportParams

* fixed an error with the implementation of the mole fraction within my equation

* added mechanism.* to branch

* ran some clang formatting on Simple.H

* ran clang format over transport.py

* more formatting

* remade almost all of the mechanisms

* cleaned up the code for the push

* Adding the temperature change to the mechanism

* fixxed the logT Error

* Redo formating of comment

* Variable optimisation

* adjusted the SRK part of the equation as well

* formatting

* typo

* qss mechanism

* qss mech updates without extraneous changes

* fix sympy version more strictly in ceptr

---------

Co-authored-by: Justin Freiberger <[email protected]>
Co-authored-by: Terence Lehmann <[email protected]>
Co-authored-by: terence.lehmann <[email protected]>
Co-authored-by: Thomas Howarth <[email protected]>
Co-authored-by: Thomas Howarth <[email protected]>
Co-authored-by: Bruce Perry <[email protected]>
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2 participants