Dossier: Chemical Reaction Modelling of Refining Processes
Open Access
Issue
Oil Gas Sci. Technol. – Rev. IFP Energies nouvelles
Volume 66, Number 3, May-June 2011
Dossier: Chemical Reaction Modelling of Refining Processes
Page(s) 461 - 477
DOI https://doi.org/10.2516/ogst/2009047
Published online 24 November 2009
  • Kmak W.S. (1971) A Kinetic Simulation Model of the Powerforming Process, AIChE National Meeting, Houston, TX, March 3, 1971.
  • Ramage M.P., Graziani K.R., Krambeck F.J. (1980) Development of Mobil’s Reforming Model, Chem. Eng. Sci. 35, 1, 41-48. [CrossRef]
  • Marin G.B., Froment G.F., Lerou J.J., De Backer W. (1983) Simulation of a Catalytic Naphtha Reforming Unit, Proceedings of the Third International Congress on Computers & Chemical Engineering 27, 2, C117/1-C117/7.
  • Weekman V.W., Nace D.M. (1970) Kinetics of catalytic cracking selectivity in fixed, moving, and fluid bed reactors, AIChE J. 16, 3, 397-404. [CrossRef]
  • Jacob S.M., Gross B., Voltz S.E., Weekman V.W. (1976) A Lumping and Reaction Scheme for Catalytic Cracking, AIChE J. 22, 4, 701-713. [CrossRef]
  • Pitault I., Nevicato D., Forissier M., Bernard J.R. (1994) Kinetic Model Based on a Molecular Description for Catalytic Cracking of Vacuum Gas Oil, Chem. Eng. Sci. 49, 24A, 4249-4262. [CrossRef]
  • Stangeland B.E. (1974) A Kinetic Model for the Prediction of Hydrocracker Yields, Ind. Eng. Chem. Process Design Dev. 13, 1, 71-76. [CrossRef]
  • Koseoglu R.O., Phillips C.R. (1988) Kinetic Models for the Non-Catalytic Hydrocracking of Athabasca Bitumen, Fuel 67, 6, 906-915. [CrossRef]
  • Parnas R.S., Allen D.T. (1988) Compound Class Modeling of Hydropyrolysis, Chem. Eng. Sci. 43, 10, 2845-2857. [CrossRef]
  • Trauth D.M. (1993) Structure of Complex Mixtures through Characterization, Reaction, and Modeling, PhD Thesis, University of Delaware.
  • Mosby J.F., Buttke R.D., Cox J.A., Nokolaides C. (1986) Process Characterization of Expanded-Bed Reactors in Series, Chem. Eng. Sci. 41, 4, 989-995. [CrossRef]
  • Gray M.R. (1990) Lumped Kinetics of Structural Groups: Hydrotreating of Heavy Distillate, Ind. Eng. Chem. Res. 29, 4, 505-512. [NASA ADS] [CrossRef] [EDP Sciences] [MathSciNet] [PubMed]
  • López-García C., Roy-Auberger M., Chapus T., Baco F. (2003) Analysis and Kinetic Modeling in ULSD Hydrotreating, Preprint Paper of the American Chemical Society’s Division of Fuel Chemistry 48, 2, 681-682.
  • Schweitzer J.M., Kressmann S. (2004) Ebullated bed reactor modeling for residue conversion, Chem. Eng. Sci. 59, 22-23, 5637-5645.
  • Wang F.C.Y., Robbins W.K., Di Sanzo F.P., McElroy F.C. (2003) Speciation of Sulfur-Containing Compounds in Diesel by Comprehensive Two-Dimensional Gas Chromatography, J. Chromatogr. Sci. 41, 10, 519-523. [PubMed]
  • Dartiguelongue C., Hudebine D., Bertoncini F., Lopez-Garcia C., Chapus T. (2006) Comparison of experimental and modelled data for sulfur molecular distribution in diesel feeds from various origins, Preprint Paper of the American Chemical Society’s Division of Petroleum Chemistry 51, 2, 299-302.
  • Adam F., Bertoncini F., Brodusch N., Durand E., Thiébaut D., Espinat D., Hennion M.C. (2007) New benchmark for basic and neutral nitrogen compounds speciation in middle distillates using comprehensive two-dimensional gas chromatography, J. Chromatogr. A 1148, 1, 55-64. [CrossRef] [PubMed]
  • López García C., Becchi M., Grenier-Loustalot M.F., Païsse O., Szymanski R. (2002) Analysis of aromatic sulfur compounds in gas oils using GC with sulfur chemiluminescence detection and high-resolution MS, Anal. Chem. 74, 15, 3849-3857. [CrossRef] [PubMed]
  • Liguras D.K., Allen, D.T. (1989) Structural Models for Catalytic Cracking 1. Model Compound Reactions, Ind. Eng. Chem. Res. 28, 6, 665-673. [NASA ADS] [CrossRef] [EDP Sciences] [MathSciNet] [PubMed]
  • Liguras D.K., Allen, D.T. (1989) Structural Models for Catalytic Cracking 2. Model Compound Reactions, Ind. Eng. Chem. Res. 28, 6, 674-683. [NASA ADS] [CrossRef] [EDP Sciences] [MathSciNet] [PubMed]
  • Allen D.T., Liguras D.K. (1991) Structural Models of Catalytic Cracking Chemistry: A Case Study of a Group Contribution Approach to Lumped Kinetic Modeling, Chemical Reactions in Complex Mixtures: The Mobil Workshop, Sapre A.V., Krambeck F.J. (eds), Van Nostrand Reinhold, New-York.
  • Khorasheh F., Khaledi R., Gray M.R. (1998) Computer generation of representative molecules for heavy hydrocarbon mixtures, Fuel 77, 4, 241-253.
  • Hudebine D. (2003) Reconstruction moléculaire de coupes pétrolières, PhD Thesis, École Normale Supérieure de Lyon.
  • Hudebine D., Vera, C., Wahl F., Verstraete J. (2002) Molecular Representation of Hydrocarbon Mixtures from Overall Petroleum Analyses, 2002 AIChE Spring Meeting, New Orleans, LA, March 10-14, 2002, Paper 27a, 15-24.
  • Van Geem K.M., Hudebine D., Reyniers M.F., Wahl F., Verstraete J.J., Marin G.B. (2007) Molecular reconstruction of naphtha steam cracking feedstocks based on commercial indices, Comput. Chem. Eng. 31, 9, 1020-1034. [NASA ADS] [CrossRef] [EDP Sciences] [MathSciNet] [PubMed]
  • Hudebine D., Verstraete J.J. (2009) Reconstruction of Petroleum Feedstocks by Entropy Maximization. Application to the FCC gasolines, Oil Gas Sci. Technol.Rev. IFP (in press – this volume).
  • Quann R.J., Jaffe S.B. (1992) Structure-Oriented Lumping: Describing the Chemistry of Complex Hydrocarbon Mixtures, Ind. Eng. Chem. Res. 31, 11, 2483-2497. [NASA ADS] [CrossRef] [EDP Sciences] [MathSciNet] [PubMed]
  • Quann R.J., Jaffe S.B. (1996) Building Useful Models of Complex Reaction Systems in Petroleum Refining, Chem. Eng. Sci. 51, 10, 1615-1635. [CrossRef]
  • Jaffe S.B., Freund H., Olmstead W.N. (2005) Extension of Structure-Oriented Lumping to Vacuum Residua, Ind. Eng. Chem. Res. 44, 9840-9852. [NASA ADS] [CrossRef] [EDP Sciences] [MathSciNet] [PubMed]
  • Zhang Y. (1999) A Molecular Approach for Characterization and Property Predictions of Petroleum Mixtures with Applications to Refinery Modelling, PhD Thesis, University of Manchester.
  • Neurock M. (1992) A Computational Chemical Reaction Engineering Analysis of Complex Heavy Hydrocarbon Reaction Systems, PhD Thesis, University of Delaware.
  • Neurock M., Nigam A., Trauth D.M., Klein M.T. (1994) Molecular Representation of Complex Hydrocarbon Feedstocks through Efficient Characterization and Stochastic Algorithms, Chem. Eng. Sci. 49, 24, 4153-4177. [CrossRef]
  • Trauth D.M., Stark S.M., Petti T.F., Neurock M., Klein M.T. (1994) Representation of the Molecular Structure of Petroleum Resid through Characterization and Monte Carlo Modeling, Energ. Fuel. 8, 3, 576-580. [CrossRef]
  • Hudebine D., Verstraete J.J. (2004) Molecular Reconstruction of LCO Gasoils from Overall Petroleum Analyses, Chem. Eng. Sci. 59, 22-23, 4755-4763. [CrossRef]
  • Verstraete J.J., Revellin N., Dulot H., Hudebine D. (2004) Molecular reconstruction of vacuum gasoils, Preprint Paper of the American Chemical Society’s Division of Fuel Chemistry 49, 1, 20-2.
  • Wei J., Kuo J.C.W (1969) Lumping Analysis in Monomolecular Reaction Systems. Analysis of the Exactly Lumpable System, Ind. Eng. Chem. Fund. 8, 1, 114-123. [CrossRef]
  • Li G., Rabitz H.A. (1989) A General Analysis of Exact Lumping in Chemical Kinetics, Chem. Eng. Sci. 44, 6, 1413-1430. [CrossRef]
  • Fafet A., Magné-Drisch J. (1995) Analyse quantitative détaillée des distillats moyens par couplage CG/MS, Oil Gas Sci. Technol. – Rev. IFP 50, 3, 391-404. [CrossRef] [EDP Sciences]
  • Castex H., Boulet R., Juguin J., Lepinasse A. (1983) Analysis of Kerosenes and Middle Distillates by Medium-Resolution Mass Spectrometry, Oil Gas Sci. Technol. – Rev. IFP 38, 4, 523-532. [CrossRef] [EDP Sciences]
  • Fafet A., Bonnard J., Prigent F. (1999) New Developments in Mass Spectrometry for Group-Type Analysis of Petroleum Cuts. First Part: Improving Quantification of Sulphured Aromatic Compounds in Middle Distillates, Oil Gas Sci. Technol. – Rev. IFP 54, 4, 439-452. [CrossRef] [EDP Sciences]
  • Fafet A., Bonnard J., Prigent F. (1999) New Developments in Mass Spectrometry for Group-Type Analysis of Petroleum Cuts. Second Part: Development and Validation of a New Inlet System for Heavy Cuts, Oil Gas Sci. Technol. – Rev. IFP 54, 4, 453-462. [CrossRef] [EDP Sciences]
  • Benson S.W. (1968) Thermochemical Kinetics, J. Wiley and Sons, New York.
  • Benson S.W., Buss J.H. (1958) Additivity Rules for the Estimation of Molecular Properties. Thermodynamic Properties, J. Chem. Phys. 29, 546-572. [CrossRef]
  • Benson S.W., Cruickshank F.R., Golden D.M., Haugen G.R., O’Neal H.E., Rodgers A.S., Shaw R., Walsh R. (1969) Additivity Rules for the Estimation of Thermochemical Properties, Chem. Rev. 69, 279-324. [CrossRef]
  • Benson S.W. (1976) Thermochemical Kinetics, Second edition, J. Wiley and Sons, New York.
  • Joback K.G., Reid R.C. (1987) Estimation of Pure-Component Properties from Group-Contributions, Chem. Eng. Commun. 57, 1-6, 233-243. [CrossRef]
  • Constantinou L., Gani R. (1994) New Group Contribution Method for Estimating Properties of Pure Compounds, AIChE J. 40, 10, 1697-1710. [CrossRef]
  • Thermodynamic Research Center (1999) TRC Thermodynamic Tables, Thermodynamics Research Center, The Texas A&M University System, College Station, TX.
  • Marrero-Morejon J., Pardillo-Fontdevila E. (1999) Estimation of Pure Compound Properties Using Group-Interaction Contributions, AIChE J. 45, 3, 615-621. [CrossRef]
  • Reid R.C., Prausnitz J.M., Poling B.E. (1987) The Properties of Gases and Liquids, Fourth Edition, McGraw-Hill Book Co., New York.
  • Yamada T., Gunn R.D. (1973) Saturated Liquid Molar Volumes. Rackett Equation, J. Chem. Eng. Data 18, 2, 234-236. [CrossRef]
  • López García C., Hudebine D., Schweitzer J.M., Verstraete J.J., Ferré D. (2009) In-Depth Modeling of Gas Oil Hydrotreating: From Feedstock Reconstruction to Reactor Stability Analysis, Catal. Today (in press).

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