Dear Thaer,

I guess what you see in your simulations ought to be the Entropy-Enthalpy Compensation in its physically-chemically valid form.

How to interpret your finding? It is a long but (hopefully) instructive story:

https://www.researchgate.net/publication/259080040_Valid_Entropy-Enthalpy_Compensation_Its_True_Physical-Chemical_Meaning?ev=prf_pub

https://www.researchgate.net/publication/272787474_The_Interrelationship_between_Thermodynamics_and_Energetics_The_True_Sense_of_Equilibrium_Thermodynamics

Respectfully yours,

Evgeni

Article Valid Entropy-Enthalpy Compensation: Its True Physical-Chemi...

Article The Interrelationship between Thermodynamics and Energetics:...

Dear Evgeni B. Starikov , 

Thank you for your answer. I read your great papers and sent you some questions regarding my question here.  I hope to get answer.   

Dear Remi Cornwall,

Thank you for your answers. 

The positive Gibbs free energy values, that I have got it, are for Isothermal-isobaric ensemble for only pure liquid ( pure adsorbate).

You need to be more specific as to the reference state. When you say that that the Gibbs free energy of the pure liquid in the 

Entropy: A concept that is not a physical quantity

https://www.researchgate.net/publication/230554936_Entropy_A_concept_that_is_not_a_physical_quantity

Dear Saif,

you are advertising a very nice sketch, but what is Entropy in it, I could not follow... You say 'randomness', am I right?

Hello Thaer al Jadir

Try to apply this new thermodynamics, qualified as systemic and molecular, where all energies are positive, including the Gibbs energy; where the température is defined as the internal energy of a molecule ; entropy as the volume of the occupational volume of a molecule, Vmt, among the other molecules,divided by the volume of this molecule, Vm (S=Vmt/Vm); so the total energy of a molecule in a phase (aqueous or gaseous) is NTS (N number of molecules in the phase). In a phase at equilibrium, the pressure (energy/volume) is equal everywhere and the molecular chemical potential T/M is equal everywhere, whatever the type of molecule. Thus, it is not the temperature but the molecular chemical potential which is equal everywhere in the phases. Using this terminology, G=NTS=PV=NµM and you can write energy at volume cte and at cte pressure: dH and Q

The article is here in the website