1979 Volume 47 Issue 3 Pages 955-959
In this work, thermodynamical properties related to chemical potentials of chain molecules in solutions are studied by computer simulation. The systems studied are 16-mer and 30-mer solutions in a tetrahedral lattice roughly ranged from 0 to 0.5 in concentrations and cover several solvent conditions.
A considerable deviation is found between the classical Flory’s expression for chemical potentials and the simulation results. On the other hand, the Miller-Guggenheim’s gives a better approximation. A finite deviation is, however, remained. The deviation is larger for longer chain solutions and under poorer solvent conditions. A main cause of the deviation is that the theories do not take account of the non-uniformity of chain element distributions.
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