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[jande48]

I'm a geologist and don't have a strong background in chemistry or thermodynamics. Any help on solving this problem is much appreciated. I'm trying to minimize Gibbs free energy to get initial estimates of Henry Coefficients (KiKi) for a flash calculation. Several publications presented the equation for Gibbs free energy for multiphase systems as the equation in the photo below. My question is relatively straight forward: how do I calculate the standard chemical potential of each component (methane, ethane, propane, water) as a function of temperature?

Also, I have Matlab scripts to calculate fugacity. However, it calculates a fugacity for each phase (gas and liquid). I'm not sure how to calculate the reference fugacity of each component while knowing that part of each component is in two phases?

From there, I can use simulated annealing in MATLAB for cycle through potential compositions to evaluate the minimum.

nini = mols of component ii

μi0μi0 = chemical potential of reference state

fi0fi0 = fugacity of the reference state

fijfij = fugacity of component ii in phase jj

nijnij = moles of component ii in phase j  unnamed.png   2.48KB   2 downloads