Extension of LIR Equation of State to Alkylamines Using Group Contribution Method. (5th March 2013)

• Record Type: Journal Article
• Authors: Kalantar, Zahra; Nikoofard, Hossein; Javadi, Faezeh
• Other Names: Kimura Y. Academic Editor.; Reis H. Academic Editor.
• Is Part Of: ISRN physical chemistry. Volume 2013(2013)
• Publication Date: 2013-03-05
• Subjects: Chemistry, Physical and theoretical -- Periodicals; Chemistry, Physical and theoretical; 35.10 physical chemistry: general; Periodicals; Electronic journals; 541
• DOI: 10.1155/2013/804576
• Languages: English
• ISSNs: 2090-7761

Abstract

Abstract : In this work, the modified linear isotherm regularity (LIR) equation of state parameter table is extended in order to represent volumetric behaviour of primary alkylamines. In addition, the isothermal compressibility and thermal expansion coefficient of these compounds have been predicted. To do so, we consider each of primary alkylamine as a hypothetical mixture of methyl, methylene and a primary amine functional group, in which the interaction potential of each pair is assumed to be the average effective pair potential. Then, the LIR equation of state has been extended to such a hypothetical mixture. Furthermore, three basic compounds, namely, propane, n -butane, and cyclohexane are used to obtain the contribution of methyl and methylene groups in the EOS parameters, and also other appropriate compounds are used to obtain the contribution of the primary amine functional groups, such as 1-pentylamine for the contribution of −CH2 NH2 and 2-aminopentane for the contribution of 〉 CHNH 2 groups. The calculated EOS parameters along with the modified EOS are then used to calculate the density and its derivatives for alkylamines at different pressures and temperatures. The obtained results for different properties are compared with the experimental values.