ABSTRACT

Group contribution theories can predict compound proper-

ties from their molecular structures and interactions ofmole-

cules in the mixture. The method is quite fast and does not

require the use of complicated computer algorithms.[21-26]

Group contribution theory was first developed for sim-

ple organic compounds. However, with the development of

the well-known lattice fluid (LF) theory,[27] prediction of

many temperature and pressure dependent physical proper-

ties has been made for simple organic compounds and

synthetic polymers. The theory requires the determination

of parameters, called “scaling constants,” for temperature,

pressure, and density.