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Chem. Res."},{"key":"ref27\/cit27","unstructured":"Gani, R.; Sansonetti, S.Property Modelling and Databases in Product-Process Design. 18th Symposium on Thermophysical Properties, Boulder CO, June 24\u201329, 2012."},{"issue":"1","key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"135","DOI":"10.1002\/aic.690140124","volume":"14","author":"Renon H.","year":"1968","journal-title":"AIChE J."},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"341","DOI":"10.1021\/ie50458a035","volume":"40","author":"Redlich O.","year":"1948","journal-title":"Ind. Eng. Chem."},{"issue":"1","key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"116","DOI":"10.1002\/aic.690210115","volume":"21","author":"Abrams D. S.","year":"1975","journal-title":"AIChE J."},{"key":"ref31\/cit31","first-page":"723","volume":"72","author":"Van Laar J. J.","year":"1910","journal-title":"Z. Phys. Chem."},{"key":"ref32\/cit32","doi-asserted-by":"crossref","first-page":"127","DOI":"10.1021\/ja01056a002","volume":"86","author":"Wilson G. M.","year":"1964","journal-title":"J. Am. Chem. Soc."},{"key":"ref33\/cit33","doi-asserted-by":"crossref","first-page":"1086","DOI":"10.1002\/aic.690210607","volume":"21","author":"Fredenslund A.","year":"1975","journal-title":"AIChE J."},{"key":"ref34\/cit34","volume-title":"Vapor Liquid Equilibrium Using UNIFAC","author":"Fredenslund A.","year":"1977"},{"key":"ref35\/cit35","unstructured":"Poling, B. E.; Prausnitz, J. M.; O\u2019Connell, J. P.The Properties of Gases and Liquids,5th ed.McGraw Hill:New York, 2001; p6.28."},{"key":"ref36\/cit36","doi-asserted-by":"crossref","first-page":"233","DOI":"10.1021\/cr60137a013","volume":"44","author":"Redlich O.","year":"1949","journal-title":"Chem. 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Data"},{"key":"ref46\/cit46","doi-asserted-by":"crossref","first-page":"3036","DOI":"10.1021\/ie980748e","volume":"38","author":"Vasquez V. R.","year":"1999","journal-title":"Ind. Eng. Chem. Res."},{"key":"ref47\/cit47","doi-asserted-by":"crossref","first-page":"78","DOI":"10.1016\/j.fluid.2011.05.014","volume":"307","author":"Hajipour S.","year":"2011","journal-title":"Fluid Phase Equilib."},{"key":"ref48\/cit48","doi-asserted-by":"crossref","first-page":"122","DOI":"10.1016\/j.tca.2011.09.004","volume":"526","author":"Theodorou D.","year":"2011","journal-title":"Thermochim. Acta"},{"key":"ref49\/cit49","unstructured":"Poling, B. E.; Prausnitz, J. M.; O\u2019Connell, J. P.The Properties of Gases and Liquids,5th ed.McGraw Hill:New York, 2001; pp8.78\u20138.94."},{"key":"ref50\/cit50","doi-asserted-by":"crossref","first-page":"183","DOI":"10.1021\/ie020506l","volume":"42","author":"Wittig R.","year":"2003","journal-title":"Ind. Eng. Chem. 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