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Prediction of Solubility Parameters Based on the Explicit Expression of Statistical Thermodynamics |
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| Authors: | Nader Mansoori Oghaz Behzad Haghighi Mohammad Mehdi Alavianmehr Ebrahim Ghiamati |
| Affiliation: | 1. Department of Education, Bojnord University, Bojnord, North Khorasan, Iran 2. Department of Physics, University of Neyshabur, P.O. Box 899, 91136, Neyshabur, Razavi Khorasan, Iran 3. Department of Chemistry, Shiraz University of Technology, 71555-313, Shiraz, Fars, Iran 4. Analytical Chemistry Research Laboratory (ACRL), Department of Chemistry, Faculty of Science, Birjand University, 97175-615, Birjand, South Khorasan, Iran |
| 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. |
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