Composite group vector space method for estimating melting and boiling point of pure organic compound

Wei Wenying; Wang Zhen; Yin Yanhua; Han Jinyu; Xu Wen

Korean Journal of Chemical Engineering, Vol.25, No.3, 562-567, May, 2008

DOI10.1007/s11814-008-0095-1 Export Citation

Composite group vector space method for estimating melting and boiling point of pure organic compound

Wei Wenying^{1, 2, †}, Wang Zhen², Yin Yanhua², Han Jinyu¹, and Xu Wen¹

¹Key Laboratory for Green Chemical Technology of State Education Ministry,School of Chemical Engineering & Technology, Tianjin University, Tianjin 300072, China
²The 718 Research Institute of CSIC, HanDan 056027, China

E-mail:

Composition Group Vector Space (CGVS) method for estimating melting and boiling point Tm, Tb of organic compound has been proposed, and the principle of this method has been elucidated. The models for estimating Tm, Tb have been established and the numerical values of relative parameters have been presented. The average percentage deviations of Tm, Tb estimation are 7.53 and 1.58, respectively, which show that the present method demonstrates significant improvement in applicability to predict the above properties, compared to conventional group methods.

Keywords:Composition Group Vector Space;Pure;Organic Compound;Melting Boiling;Boiling Point;Estimation

[References]

Joback KG, Reid RC, Chem. Eng. Commun., 57, 233 (1987)
Ambrose D, Correlation and estimation of vapour-liquid critical properties. 1. Critical temperatures of organic compound, NPL reports in chemistry 92, National Physical Laboratory, Teddington, U.K. (1978)
Ambrose D, Vapor-liquid critical properties: II. Critical pressure and critical volume, NPL reports in chemistry 107, National Physical Laboratory, Teddington, U.K. (1980)
Lyman WJ, Reehl WF, Rosenblatt DH, Handbook of chemical property estimation methods, American Chemical Society, Washington, DC (1990)
Marrero-Morejon J, Pardillo-Fontdevila E, AIChE J., 45(3), 615 (1999)
Constantinou L, Gani R, AIChE J., 40(10), 1697 (1994)
Hall KR, Beach LB, selected values of properties of hydrocarbons and related compounds, Thermodynamics Research Center, Texas A & M university, Texas (1981)
Poling BE, Prausnitz JM, O’Connell JP, The properties of gases and liquids, 5th ed. McGraw-Hill Book Co., New York (2001)
West RC, Astle MJ, CRC handbook of data on organic compounds, CRC Press Inc., Boca Raton, FL (1985)
Majer V, Svoboda V, Enthalpies of vaporization of organic compounds, Blackwell Scientific Publication, Oxford (1985)

[1] Joback KG, Reid RC, Chem. Eng. Commun., 57, 233 (1987)

[2] Ambrose D, Correlation and estimation of vapour-liquid critical properties. 1. Critical temperatures of organic compound, NPL reports in chemistry 92, National Physical Laboratory, Teddington, U.K. (1978)

[3] Ambrose D, Vapor-liquid critical properties: II. Critical pressure and critical volume, NPL reports in chemistry 107, National Physical Laboratory, Teddington, U.K. (1980)

[4] Lyman WJ, Reehl WF, Rosenblatt DH, Handbook of chemical property estimation methods, American Chemical Society, Washington, DC (1990)

[5] Marrero-Morejon J, Pardillo-Fontdevila E, AIChE J., 45(3), 615 (1999)

[6] Constantinou L, Gani R, AIChE J., 40(10), 1697 (1994)

[7] Hall KR, Beach LB, selected values of properties of hydrocarbons and related compounds, Thermodynamics Research Center, Texas A & M university, Texas (1981)

[8] Poling BE, Prausnitz JM, O’Connell JP, The properties of gases and liquids, 5th ed. McGraw-Hill Book Co., New York (2001)

[9] West RC, Astle MJ, CRC handbook of data on organic compounds, CRC Press Inc., Boca Raton, FL (1985)

[10] Majer V, Svoboda V, Enthalpies of vaporization of organic compounds, Blackwell Scientific Publication, Oxford (1985)