Prediction of Thermodynamic Properties of Coal Derivatives. Progress Report, September 1, 1982-August 21, 1983 (Organic Compounds; Binary Mixtures (Including Some Inorganics, Such as SO sub 2 , CO sub 2 , H sub 2 S))

摘要

Many unit operations in chemical processing, especially in coal processing, involve complex molecules such as benzene, phenol, naphthalene, and larger molecules. Efficient design and operation of equipment for these processes require reliable prediction of phase-equilibrium behavior. These properties usually can be measured over a wide range of conditions by precise phase-equilibrium experiments, however, experimental determination of phase behavior is both tedious and time consuming. Therefore an equation of state, taking into account the effects of differences in molecular size, shape, and intermolecular forces as well as non-randomness and hydrogen bonding is quite desirable. In addition, to be widely applicable, the equation of state should treat molecules with both London (induction) forces and anisotropic multipolar forces (dipole and quadrupole forces). This is a report of our progress toward predicting and correlating phase behavior of complex molecules with both multipolar and induction forces and testing the model with appropriate equilibrium measurements. (ERA citation 08:034984)