NDLI: Prediction of Solubility Parameters Based on the Explicit Expression of Statistical Thermodynamics

Content Provider	Springer Nature Link
Author	Oghaz, Nader Mansoori Haghighi, Behzad Alavianmehr, Mohammad Mehdi Ghiamati, Ebrahim
Copyright Year	2013
Abstract	A robust and efficient procedure is presented for calculating the solubility parameter. An analytical equation for internal pressure is proposed. Through a simple relation reported by Verdier and Andersen (fluid phase equilibrium 231: 125–137, 2005), one can easily find the solubility parameter via our analytical equation for the internal pressure. Also, the radial distribution function (RDF) of a Lennard–Jones LJ (12, 6) fluid, proposed by Xu and Hu (fluid phase equilibrium 30: 221–228, 1986), has been employed to calculate the internal pressure of normal alkanes from methane to decane. Their solubility parameters were evaluated according to the calculated values of the internal pressure. A comparison between the experimental and the estimated values demonstrated a very good agreement between them.
Starting Page	544
Ending Page	554
Page Count	11
File Format	PDF
ISSN	00959782
Journal	Journal of Solution Chemistry
Volume Number	42
Issue Number	3
e-ISSN	15728927
Language	English
Publisher	Springer US
Publisher Date	2013-03-07
Publisher Place	Boston
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Radial distribution function Statistical thermodynamics Inter-particle interaction Lennard–Jones fluids Physical Chemistry Industrial Chemistry/Chemical Engineering Geochemistry Oceanography Inorganic Chemistry Condensed Matter Physics
Content Type	Text
Resource Type	Article
Subject	Biochemistry Molecular Biology Biophysics Physical and Theoretical Chemistry

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