Modified response surface methodology (MRSM) for phase equilibrium-application

Abstract

Attempts are being made to predict multicomponent azeotropic mixtures from the physical property of pure component and compositions of the constituting binary combination pairs. A modified response surface methodology (MRSM) model has been proposed which correlates boiling temperatures of binary, ternary and quaternary mixtures directly with the compositions of vapor and liquid phases. The generalized MRSM-2 models for liquid and vapor phases are proposed as follows: \( T = \mathop \sum \limits_{i = 1}^N T_i X_i + \mathop {\sum \sum A_{ij} }\limits_{i = j}^{N - 1N} X_i X_j + \mathop {\sum \sum B_{ij} }\limits_{i = j}^{N - 1N} X_i X_j \left( {X_i - X_j } \right) + \mathop {\sum \sum C_{ij} }\limits_{i = j}^{N - 1N} X_i X_j \left( {X_i - X_j } \right)^2 \) (for liquid phase) \( T = \mathop \sum \limits_{i = 1}^N T_i Y_i + \mathop {\sum \sum A_{ij} }\limits_{i = j}^{N - 1N} Y_i Y_j + \mathop {\sum \sum B_{ij} }\limits_{i = j}^{N - 1N} Y_i Y_j \left( {Y_i - Y_j } \right) + \mathop {\sum \sum C_{ij} }\limits_{i = j}^{N - 1N} Y_i Y_j \left( {Y_i - Y_j } \right)^2 \) (for vapor phase)