Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
156113 | Chemical Engineering Science | 2011 | 9 Pages |
Abstract
In this work, the Quantitative Structure–Property Relationship (QSPR) method is applied to represent/predict the parachor of pure non-electrolyte organic compounds. A Genetic-Algorithm-based Multivariate Linear Regression (GA-MLR) is used to select the most statistically effective molecular descriptors for evaluating this property. To propose a predictive model, 227 pure non-electrolyte organic compounds are investigated. 2.8% absolute average deviation for the represented/predicted parachors of investigated compounds is found from the corresponding experimental values.
Keywords
Related Topics
Physical Sciences and Engineering
Chemical Engineering
Chemical Engineering (General)
Authors
Farhad Gharagheizi, Ali Eslamimanesh, Amir H. Mohammadi, Dominique Richon,