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F.NIST ThermoData Engine, NIST Standard Reference Database 103b-Pure Compounds, Binary Mixtures, and Chemical Reactions, version 4.0;NIST, Standard Reference Data Program:Gaithersburg, MD, 2009."},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"2487","DOI":"10.1021\/ci600208f","volume":"46","author":"Frenkel M.","year":"2006","journal-title":"J. Chem. Inf. Model."},{"key":"ref16\/cit16a","doi-asserted-by":"crossref","first-page":"165","DOI":"10.1016\/j.fluid.2008.12.005","volume":"276","author":"Cummings P. T.","year":"2009","journal-title":"Fluid Phase Equilib."},{"key":"ref16\/cit16b","doi-asserted-by":"crossref","first-page":"371","DOI":"10.1007\/s10765-009-0571-9","volume":"30","year":"2009","journal-title":"Int. J. Thermophys."},{"key":"ref16\/cit16c","doi-asserted-by":"crossref","first-page":"2","DOI":"10.1021\/je8009607","volume":"54","year":"2009","journal-title":"J. Chem. Eng. 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A.","year":"2007","journal-title":"Int. J. Thermophys."},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"2441","DOI":"10.1016\/j.compchemeng.2004.08.010","volume":"28","author":"Gani R.","year":"2004","journal-title":"Comput. Chem. Eng."},{"key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"3631","DOI":"10.1021\/je1002169","volume":"55","author":"Kang J. W.","year":"2010","journal-title":"J. Chem. Eng. Data"},{"key":"ref22\/cit22","unstructured":"Frenkel, M.; Chirico, R. D.; Diky, V. V.; Muzny, C.; Kazakov, A. F.; Magee, J. W.; Abdulagatov, I. M.; Kang, J. W.NIST ThermoData Engine, NIST Standard Reference Database 103b-Pure Compounds, Binary Mixtures, and Chemical Reactions, version 5.0;NIST, Standard Reference Data Program:Gaithersburg, MD, 2010."},{"key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"1086","DOI":"10.1002\/aic.690210607","volume":"21","author":"Fredenslund A.","year":"1975","journal-title":"AIChE J."},{"key":"ref24\/cit24","volume-title":"Vapor Liquid Equilibrium Using UNIFAC","author":"Fredenslund A.","year":"1977"},{"key":"ref25\/cit25","unstructured":"B, E.; Prausnitz, J. M.; O\u2019Connell, J. P.The Properties of Gases and Liquids,5thed;McGraw Hill:New York, 2001, p8.75."},{"key":"ref26\/cit26","doi-asserted-by":"crossref","first-page":"887","DOI":"10.1039\/a800401c","volume":"94","author":"Roux M. V.","year":"1998","journal-title":"J. Chem. Soc., Faraday Trans."},{"key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"1008","DOI":"10.1021\/je970102d","volume":"42","author":"Steele W. V.","year":"1997","journal-title":"J. Chem. Eng. Data"},{"key":"ref28\/cit28","first-page":"93","volume":"10","author":"Olevskii V. M.","year":"1959","journal-title":"Trudy GIAP (U.S.S.R.)"},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"1431","DOI":"10.1080\/00032718208064440","volume":"15","author":"Potin-Gautier M.","year":"1982","journal-title":"Anal. Lett."},{"key":"ref30\/cit30","first-page":"189","volume":"21","author":"Wahlbeck P. G.","year":"1986","journal-title":"High Temp. Sci."},{"key":"ref31\/cit31","doi-asserted-by":"crossref","first-page":"546","DOI":"10.1021\/je049673d","volume":"50","author":"Dong Q.","year":"2005","journal-title":"J. Chem. Eng. Data"},{"key":"ref32\/cit32","doi-asserted-by":"crossref","first-page":"772","DOI":"10.1002\/cite.330291204","volume":"29","author":"Glaser F.","year":"1957","journal-title":"Chem. Ing. 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