Two Types of Limitations in Modeling Chemical Processes at Elevated Pressures

Abstract

The authors discuss two types of limitations in today’s means modeling chemical processes at elevated pressures. These limitations are due to the specificity of thermodynamics in the vicinity of the critical point and incorrectly applying the law of mass action at elevated pressures. The first type of limitations singles out the range of thermodynamic parameters near the critical region of the compound, which slow the transfer of mass near the critical region and cause greater density fluctuations at temperatures above and below the critical temperature. These conditions prevent the use of technological processes. An analysis is performed using the molecular theory for non-ideal reaction systems based on the lattice gas model. The second type of limitations specifies the range of thermodynamic parameters in modeling chemical processes at elevated pressures, for which the use of the above molecular theory and the law of mass action for ideal systems differ noticeably.