Chemical potential in the fluid would be almost exactly the sanme to a
solvation calculation -- as long as you can count on it to be
metastable enough to not crystalize / phase separate during the time
of the simulation.
Chemical potential in the crystal is . . . harder. Check out the
Hello everyone,
I am interested in calculating the change in chemical potential between a
metastable liquid, consisting or solvent and solute, and the crystal structure
of the pure solute. For instance, one system I am looking at is tetrolic acid
in CCL4 as my metastable liquid, and one of
