Journal of Chemical Thermodynamics, Vol.31, No.1, 3-25, 1999
Unusual chemical thermodynamics
Thermodynamics is truly a universal science, and its applications to phenomena outside the chemical laboratory, or processing plant are many. Two are discussed here: the prediction of the high-temperature chemical equilibria and transport properties needed for the design of interplanetary probes; and the distribution of long-lived chemicals throughout the environment. Also, the possibilities of combining ab initio quantum calculations with activity coefficient models and equations of state to make predictions of (vapor + liquid) equilibria over large ranges of temperature and pressure is illustrated.
Keywords:DILUTION ACTIVITY-COEFFICIENTS;GROUP-CONTRIBUTION MODEL;LIQUID-MIXTURES;EQUATION;STATE;EQUILIBRIA;HYDROCARBONS;PREDICTION