Dossier: InMoTher 2012 - Industrial Use of Molecular Thermodynamics
Open Access
Oil Gas Sci. Technol. – Rev. IFP Energies nouvelles
Volume 68, Number 2, March-April 2013
Dossier: InMoTher 2012 - Industrial Use of Molecular Thermodynamics
Page(s) 235 - 247
Published online 28 March 2013
  • Constantinou L., Gani R. (1994) New group contribution method for estimating properties of pure compounds, AICHE J. 40, 10, 1697-1709. [CrossRef]
  • Cordes W., Rarey J. (2002) A new method for the estimation of the normal boiling point of non-electrolyte organic compounds, Fluid Phase Equilib. 201, 2, 409-433. [CrossRef]
  • DIPPR Project 801 (2005/2008/2009) Design institute for physical property data/AIChE.
  • Dudani S.A. (1976) The distance-weighted k-nearest-neighbor rule, IEEE Trans. Syst. Man Cybern. SMC-6, 4, 325-327. [CrossRef]
  • Gani R., Harper P.M., Hostrup M. (2005) Automatic creation of missing groups through connectivity index for pure-component property prediction, Ind. Eng. Chem. Res. 44, 18, 7262-7269. [CrossRef]
  • Gmehling J. (2009) Present status and potential of group contribution methods for process development, J. Chem. Thermodyn. 41, 6, 731-747. [CrossRef]
  • Gonzàlez H.E., Abildskov J., Gani R., Rousseaux P., Bert B.L. (2007) A method for prediction of UNIFAC group interaction parameters, AIChE J. 53, 6, 1620-1632. [CrossRef]
  • Joback K.G., Reid R.C. (1987) Estimation of pure-component properties from group contributions, Chem. Eng. Commun. 57, 1-6, 233-243. [CrossRef]
  • Kang J.W., Diky V., Chirico R. D., Magee J. W., Muzny C.D., Abdulagatov I., Kazakov A.F., Frenkel M. (2011) A new method for evaluation of UNIFAC interaction parameters, Fluid Phase Equilib. 309, 1, 68-75. [CrossRef]
  • Katritzky A.R., Kuanar M., Slavov S., Hall C.D., Karelson M., Kahn I., Dobchev D.A. (2010) Quantitative correlation of physical and chemical properties with chemical structure: Utility for prediction, Chem. Rev. 110, 10, 5714-5789. [CrossRef] [PubMed]
  • Kolská Z., Petrus P. (2010) Tool for group contribution methods – computational fragmentation, Collect. Czech. Chem. Commun. 75, 4, 393-404. [CrossRef]
  • Marrero J., Gani R. (2001) Group-contribution based estimation of pure component properties, Fluid Phase Equilib. 183-184, 183-208. [CrossRef]
  • Marrero-Morejon J., Pardillo-Fontdevila E., Fernandez-Benitez S. (1999) Estimation of pure compound properties using group- interaction contributions, AICHE J. 45, 3, 615-621. [CrossRef]
  • Marrero-Morejón J., Pardillo-Fontdevila E. (2000) Estimation of liquid viscosity at ambient temperature of pure organic compounds by using group-interaction contributions, Chem. Eng. J. 79, 1, 69-72. [CrossRef]
  • Marrero-Morejon J., Pardillo-Fontdevila E. (1999) Estimation of hydrocarbon properties from group-interaction contributions, Chem. Eng. Commun. 176, 161-173. [CrossRef]
  • Mustaffa A.A., Kontogeorgis G.M., Gani R. (2011) Analysis and application of GCPlus models for property prediction of organic chemical systems, Fluid Phase Equilib. 302, 1-2, 274-283. [CrossRef]
  • Nannoolal Y., Rarey J., Ramjugernath D., Cordes W. (2004) Estimation of pure component properties: Part 1. Estimation of the normal boiling point of non-electrolyte organic compounds via group contributions and group interactions, Fluid Phase Equilib. 226, 45-63. [CrossRef]
  • Peters F.T., Laube F.S., Sadowski G. (2012) Development of a group contribution method for polymers within the PC-SAFT model, Fluid Phase Equilib. 324, , 70-79. [CrossRef]
  • Poling B.E., Prausnitz J.M., O’Connell J.P. (2001) Properties of gases and liquids, Poling B.E., Prausnitz J.M., O’Connell J.P. (eds), 5th edition, McGraw-Hill.
  • Raymond J.W., Rogers T.N. (1999) Molecular structure disassembly program (MOSDAP): A chemical information model to automate structure-based physical property estimation, J. Chem. Inf. Comput. Sci. 39, 3, 463-474. [CrossRef]
  • Rowley J., Wilding W., Oscarson J., Rowley R. (2007) Rapid evaluation of prediction methods with DIPPR’s automated property prediction package, Int. J. Thermophys. 28, 3, 824-834. [CrossRef]
  • Soria T.M., Andreatta A.E., Pereda S., Bottini S.B. (2011) Thermodynamic modeling of phase equilibria in biorefineries, Fluid Phase Equilib. 302, 1-2, 1-9. [CrossRef]
  • Tochigi K., Yoshida K., Kurihara K., Ochi K., Murata J., Urata S., Otake K. (2002) Determination of ASOG parameters for selecting azeotropic mixtures containing hydrofluoroethers, Fluid Phase Equilib. 194-197, , 653-662. [CrossRef]
  • Vijande J., Piñeiro M.M., Legido J.L., Bessières D. (2010) Group- contribution method for the molecular parameters of the pc-saft equation of state taking into account the proximity effect. Application to nonassociated compounds, Ind. Eng. Chem. Res. 49, 19, 9394-9406. [CrossRef]
  • Wakeham W.A., Cholakov G.St., Stateva R.P. (2002) Liquid density and critical properties of hydrocarbons estimated from molecular structure, J. Chem. Eng. Data 47, 3, 559-570. [CrossRef]
  • Wang Q., Ma P., Wang C., Xia S. (2009) Position group contribution method for predicting the normal boiling point of organic compounds, Chinese J. Chem. Eng. 17, 2, 254-258. [CrossRef]

Current usage metrics show cumulative count of Article Views (full-text article views including HTML views, PDF and ePub downloads, according to the available data) and Abstracts Views on Vision4Press platform.

Data correspond to usage on the plateform after 2015. The current usage metrics is available 48-96 hours after online publication and is updated daily on week days.

Initial download of the metrics may take a while.