Prediction of the Temperature and Density Dependencies of the Parameters of the Average Effective Pair Potential Using Only the LIR Equation of State

1999 ◽  
Vol 103 (34) ◽  
pp. 7287-7292 ◽  
Author(s):  
G. Parsafar ◽  
F. Kermanpour ◽  
B. Najafi
Keyword(s):  
Equation Of State ◽  
Pair Potential ◽  
Effective Pair Potential ◽  
Effective Pair ◽  
Average Effective Pair Potential

scholarly journals Extension of LIR Equation of State to Alkylamines Using Group Contribution Method

2013 ◽  
Vol 2013 ◽  
pp. 1-9
Author(s):  
Zahra Kalantar ◽  
Hossein Nikoofard ◽  
Faezeh Javadi
Keyword(s):  
Equation Of State ◽  
Primary Amine ◽  
Pair Potential ◽  
State Parameter ◽  
Effective Pair Potential ◽  
Linear Isotherm Regularity ◽  
Effective Pair ◽  
Methylene Groups ◽  
Experimental Values ◽  
Average Effective Pair Potential

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 −CH2NH2 and 2-aminopentane for the contribution of 〉CHNH2 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.

A test of an effective pair potential for liquid water

1983 ◽  
Vol 79 (5) ◽  
pp. 2496-2498 ◽  
Author(s):  
Michael Townsend ◽  
Stuart A. Rice ◽  
Michael D. Morse
Keyword(s):  
Liquid Water ◽  
Pair Potential ◽  
Effective Pair Potential ◽  
Effective Pair
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