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Calculation of normal boiling points for alkane isomers by a second order group contribution method
Institution:1. National Centre for Photovoltaic Research and Education (NCPRE), Indian Institute of Technology Bombay, Mumbai, 400076, India;2. Department of Metallurgical Engineering and Materials Science, Indian Institute of Technology Bombay, Mumbai, 400076, India;1. Instituto de Energías Renovables, Universidad Nacional Autónoma de México, Temixco, Morelos, México;2. Universidad Autónoma de San Luis Potosí (UASLP), S.L.P, Mexico;1. Center for Energy Resources Engineering (CERE), Department of Chemical and Biochemical Engineering, Technical University of Denmark, Søltofts Plads, Building 229, DK–2800 Kongens Lyngby, Denmark;2. Center for Energy Resources Engineering (CERE), Department of Chemistry, Technical University of Denmark, Kemitorvet 207, Building 206, DK–2800 Kongens Lyngby, Denmark
Abstract:Second order groups are introduced into the group contribution method proposed by Tu to calculate the normal boiling points of alkanes from C1 to C10. The present method can well distinguish between the normal boiling points of alkane isomers. The absolute average error is 1.24 K.
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