Development of Efficient Group Contribution Models for CarbonDioxide Absorption by Aqueous Amine Solutions

In order to design new solvents such as amine solutions, for absorption of carbon dioxide fromnatural gas, efficient models are necessary. In this work, new easy-to-use group contribution models(GC) were developed for determination of the absorption capacity and the absorption heat of carbondioxide by aqueous amine solutions. By using a method combining modified particle swarm optimization(MPSO) and multiple linear regression (MLR) the most relevant substructures (functional groups) ofamines were selected and the linear GC models were developed. The proposed models were assessedby external validation method based on various statistical parameters. The squared correlationcoefficient values of ۰.۸۲۵ for the absorption capacity model and ۰.۸۸۱ for the absorption heat modelshow good predictive ability of both GC models. As a result, the simple models proposed here is accurateand can be used to design of new amine solutions for carbon dioxide absorption.

Keywords:

Absorption capacity , Amine , Carbon dioxide , Heat of absorption , Group contribution (GC) , Natural gas