International Journal of Thermophysics

, Volume 7, Issue 4, pp 987–1002 | Cite as

Importance of thermophysical data in process simulation

  • C. Black
Article

Abstract

The need for thermophysical properties of components and their mixtures has grown as computer simulation of processes has developed and expanded. Although equations of state require fewer input data, they are not yet generally applicable to all types of systems. Accordingly, in many cases, the liquid activity models are still very much required. A long-time disadvantage of the liquid activity method, for systems containing supercritical components, is overcome if the Henry constant is utilized. A van Laar-type interpolative equation provides the Henry constant in liquid mixtures from the values in the pure liquid components. The addition of a ternary interaction in addition to the usual binary ones provides improved MVL prediction of phase equilibria, espcially VLLE involving three phases. Examination of the consistency of thermal properties is made feasible with the aid of a generalized reduced Frost-Kalkwarf vapor pressure equation. It is useful also for extending and supplementing sparse data and for predicting properties from the structure and boiling point. Possible trends in properties needed and their availability to simulators are discussed in view of available computer facilities.

Key words

activity coefficient equation of state heat of vaporization Henry constant phase equilibria predictive methods process simulation ternary interactions vapor pressure 
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Copyright information

© Plenum Publishing Corporation 1986

Authors and Affiliations

  • C. Black
    • 1
  1. 1.Process Simulation International (an affiliate of Simulation Sciences Inc.)FullertonUSA

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