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This is the bio-chemistry module for simulating compositional +bio effects in UHS. We added SW EOS and modified the compositional module to get this new EOS. Another PR will come with equilibrium examples moved to the compositional module

ElyesAhmed and others added 20 commits September 22, 2025 14:49
author Elyes Ahmed <elyes.ahmed@sintef.no> 1729779225 +0200
committer Elyes Ahmed <elyes.ahmed@sintef.no> 1739189245 +0100

adding H2 storage examples

adding second example

add third example

minor

adding thermo

adding thermo example

HS eos and some cleanup

readme file

adding biochemisty

some fixes

adding biochemistry and optimization scripts

fixes and new example

modele de Soreide_Whitson VLE

modif test

NEW EOS

securite BIC H2, ajout CO2

securite BIC H2, ajout CO2

securite BIC H2, ajout CO2

a separete Soreide Whitson EOS for H2-brine

fixing test case and mixing parameters

adding bic for ch4, co2 and N2

Soreide whitson EOS

cleaning example thermo SW

Update README.md

rm H2_H2O_VaporLiquidEquilibrium20241203.m

VLE examples H2-H2O and CO2-H2O with the SW model

nettoyage VLE SW

correct example CO2-H2O

clean equationofstatemodel

cleaning the cases

Update README.md

Create README.md

Update README.md

removing Stephanie changes here

clean SoreideWhitsonEquationOfStateModel.m and rename example compositionalBacterial_WG_5components.m

adding more bics

minor correction

cleaning benchmark

example: CH4->C1, CompositionalMixture.m: N2 coefficients modifications and add an exponent to to the coef structure for msalt

fixing rate as source

Update README.md

Update README.md

some fixes for the rate

minor

add CO2 case with msalt=0

gammak modif

add gammak

molecular diffusion, mol_diff

mol_diff structure modified

initCompositionalStateBacteria correction and clean

benchmark2023_EAGE en cours de validation

benchmark2023_EAGE example

modif CompositionalBacterial_benchmark2023_EAGE20250107.m

fixes and bechmark running

working on benchmark

removing density dependance

new fixes

benchmark 2023AEGE ok, Gammak modified in biochemistry model

benchmarck 2023AEGE for cluster uppa

update examples

working on EAGE example, not very interesting one i think!

fix the benchmark, finally

fixing case

fixing more examples

minor

minor fixes

changes

fixing eos åhase labeling

fitting benchmark

minor

minor

add figures

fixes on the eos for case without water

adding 1d example

adding dynamic pv and Trans

new trial for Y yield factor

working on the 1d case

fixing example

adding minor fixes

clean 1d example

fixing

nothing important just to be on same commit

fixing finally problem of scaling

cleaning formulation and examples

fixing scaling for large models

adding last status before paper submission

cleaning

cleaning

cleaning module

futher cleaning

cleaning paper cases
@FrancescaWatson FrancescaWatson merged commit ae76654 into main Nov 5, 2025
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4 participants