Some recent developments in process simulation for reactive chemical systems

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Recent developments have extended the application of process simulation technology from conventional petrochemical processes to chemical processes involving reactive chemical systems. Of particular importance are electrolyte systems and aqueous systems in which chemical reactions, such as dissociation, association, or solvation occur and reach chemical equilibrium. This paper reviews 1) the effects of chemical reactions upon thermophysical properties and process simulation of these chemical systems, and 2) the computer-aided process simulation tools available for investigating and modeling reactive chemical systems. Examples are given to illustrate the application and significance of these developments.

Original languageEnglish
Pages (from-to)1177-1188
Number of pages12
JournalPure and Applied Chemistry
Issue number9
StatePublished - Jan 1 1987


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