EQUATION-OF-STATE CALCULATIONS OF CHEMICAL-REACTION EQUILIBRIUM IN NONIDEAL SYSTEMS Academic Article

abstract

• In order to calculate accurately chemical-reaction equilibria of a system over a wide range of temperatures and pressures, one must account for the non-idealities of the system. In this work, a method is developed to predict accurately chemical-reaction equilibria and phase equilibria of a system using an equation of state to account for the nonidealities. The general formalism for a multicomponent system with multiple reactions is presented. Three widely used cubic equations of state are used to calculate the physical properties of the species. The proposed method is applied to the water-gas shift reaction, to the decomposition of methylcyclohexane, and to the reaction of carbon monoxide with hydrogen sulfide over a wide range of temperatures and pressures. 1993 Plenum Publishing Corporation.

authors

• Economou, Ioannis

published proceedings

• INTERNATIONAL JOURNAL OF THERMOPHYSICS

author list (cited authors)

• ECONOMOU, I. G., DONOHUE, M. D., & HUNTER, L. W.

citation count

• 2

complete list of authors

• ECONOMOU, IG||DONOHUE, MD||HUNTER, LW

publication date

• March 1993

publisher

• Springer Nature  Publisher

published in

• International Journal of Thermophysics  Journal

keywords

• Chemical-reaction Equilibria
• Equation Of State
• PHASE EQUILIBRIA

Digital Object Identifier (DOI)

• 10.1007/BF00507808

start page

• 199

end page

• 213

volume

• 14

issue

• 2

URL

• http://dx.doi.org/10.1007/bf00507808