Computer-generation of reaction networks and calculation of product distributions in the hydroisomerization and hydrocracking of paraffins, Comput. Chem. Eng, vol.9, pp.71-81, 1985. ,
Fundamental kinetic modeling of hydroisomerization and hydrocracking on Noble metal loaded faujasites-1. rate parameters for Hydroisomerization, Ind. Eng. Chem. Res, vol.28, pp.899-910, 1989. ,
A fundamental kinetic model for the catalytic cracking of alkanes on a USY zeolite in the presence of coke formation, Ind. Eng. Chem. Res, vol.40, pp.1337-1347, 2001. ,
Computer-generated Pyrolysis Modeling-on-the-fly Generation of Species, Reactions, and Rates, Ind. Eng. Chem. Res, vol.33, pp.790-799, 1994. ,
Modeling of the gas-phase oxidation of cyclohexane, Energ. Fuel, vol.20, pp.1450-1459, 2006. ,
Automatic generation of Reaction-mechanism for the Oxidation of higher Hydrocarbons, Ber. Bunsen-Gesellsch, vol.94, pp.1362-1367, 1990. ,
Challenges of Modeling Steam Cracking of Heavy Feedstocks ,
URL : https://hal.archives-ouvertes.fr/hal-02001985
An expert System for Hydrocarbon Pyrolysis, Chemometr. Intell. Lab, vol.5, pp.39-52, 1988. ,
Comprehensive twodimensional gas chromatography: a powerful and versatile analytical tool, J. Chromatogr. A, vol.1000, pp.69-108, 2003. ,
Detailed Prediction of Olefin Yields from Hydrocarbon Pyrolysis through a Fundamental Simulation Program SPYRO, Comput. Chem. Eng, vol.3, p.61, 1979. ,
Heavy Component Description in the Kinetic Modelling of Hydrocarbon Pyrolysis, AIChE Spring National Meeting, 2001. ,
Kinetic Modeling of Pyrolysis processes in Gas and Condensed Phase, Adv. Chem. Eng, vol.32, 2007. ,
The Influence of Dimethyl Disulfide on Naphtha Steam Cracking, Ind. Eng. Chem. Res, vol.40, pp.4353-4362, 2001. ,
Response Factors for Gas Chromatographic Analyses, J. Gas Chromatogr, vol.5, p.68, 1967. ,
Online GasChromatographic Analysis of Hydrocarbon Effluents-Calibration Factors and their Correlation, Polym. Eng. Sci, vol.362, p.147, 1974. ,
Single-event kinetics of catalytic cracking, Ind. Eng. Chem. Res, vol.32, pp.2997-3005, 1993. ,
State of the art in global optimization: Computational methods and Applications, 1996. ,
Kinetics and Reactor Design in the Thermal Cracking for Olefin Production, Chem. Eng. Sci, vol.47, p.2163, 1992. ,
The principle of maximum entropy, Math. Intell, vol.7, pp.42-48, 1985. ,
From single events theory to molecular kinetics-application to industrial process modeling, Chem. Eng. Sci, vol.21, pp.4861-4869, 2003. ,
ComputerGeneration of Reaction Schemes and Rate-Equations for ThermalCracking, AIChE J, vol.34, pp.17-25, 1988. ,
Reconstruction Moléculaire de Coupes Pétrolières, 2003. ,
Molecular Representation of Hydrocarbon Mixtures from Overall Petroleum Analyses, AIChE 2002 Spring Meeting, pp.10-14, 2002. ,
Molecular Reconstruction of LCO Gasoils from overall Petroleum Analyses, Chem. Eng. Sci, vol.59, pp.4755-4763, 2004. ,
Resolution of 11 000 compositionally distinct components in a single Electrospray ionization Fourier transform ion cyclotron resonance mass spectrum of crude oil, Anal. Chem, vol.74, pp.4145-4149, 2002. ,
Pyrolysis Reaction Mechanism for Industrial Naphtha Cracking Furnaces, Ind. Eng. Chem. Res, vol.40, pp.2409-2415, 2001. ,
Entropy Optimization Principles with Applications, 1992. ,
A Lumping Analysis in Monomolecular Reaction Systems-Analysis of Approximately Lumpable System, Ind. Eng. Chem. Fund, vol.8, p.124, 1969. ,
Design of New DASPK for Sensitivity Analysis, 1999. ,
Structural Models for Catalytic Cracking. 1. Model Compound Reactions, Ind. Eng. Chem. Res, vol.28, p.665, 1989. ,
Fischer-Tropsch synthesis: Development of a microkinetic model for metal catalysis, Oil Gas Sci. Technol, vol.28, pp.489-496, 1989. ,
Estimation of Hydrocarbon Properties from Group-Interaction Contributions, Chem. Eng. Commun, vol.176, p.161, 1999. ,
Single-event rate parameters for the hydrocracking of cycloalkanes on Pt/US-Y zeolites, Ind. Eng. Chem. Res, vol.40, pp.1832-1844, 2001. ,
Mechanism Generation with Integrated Pressure dependence: A New Model for Methane Pyrolysis, J. Phys. Chem. A, vol.107, pp.8552-8565, 2003. ,
Physicochemical characterization of petroleum fractions: the State of the Art, Oil Gas Sci. Technol, vol.62, pp.7-32, 2007. ,
URL : https://hal.archives-ouvertes.fr/hal-02005619
Oil reservoir characterization via crude oil analysis by downhole fluid analysis in oil wells with visible-near-infrared spectroscopy and by laboratory analysis with electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry, Energ. Fuel, vol.20, pp.2448-2456, 2006. ,
Molecular Representation of Complex Hydrocarbon Feedstocks through Efficient Characterization and Stochastic Algorithms, J. Chromatogr. A, vol.49, pp.327-334, 1994. ,
Construction of Complex Reaction Systems, Comput. Chem. Eng, vol.21, pp.1219-1235, 1997. ,
Initial Product Distribution from Pyrolysis of Normal and Branched Paraffins, Ind. Eng. Chem. Fund, vol.51, pp.132-139, 1983. ,
Lumping procedures in Detailed Kinetic Modeling of gasification, pyrolysis, partial oxidation and combustion of hydrocarbon mixtures, Prog. Energ. Combust, vol.27, pp.99-139, 2001. ,
Low Temperature Combustion-Automatic-Generation of Oxidation Reactions and Lumping procedures, Combust. Flame, vol.102, pp.179-192, 1995. ,
Influence of Metal Surface and Sulfur Addition on Coke Deposition in the Thermal Cracking of Hydrocarbons, Ind. Eng. Chem. Res, vol.34, pp.773-785, 1995. ,
Characterization and properties of petroleum fractions, 2005. ,
The Thermal Decomposition of Organic Compounds from the Standpoint of Free Radicals, J. Am. Chem. Soc, vol.53, 1931. ,
The Thermal Decomposition of Organic Compounds from the Standpoint of Free Radica1s. VI. The Mechanism of Some Chain Reactions, J. Am. Chem. Soc, vol.56, p.284, 1934. ,
Ab initio Modelling as a Tool for the Sustainable Development of Chemical processes, PhD Dissertation, AIChE J, vol.50, pp.426-444, 2003. ,
Ab initio group contribution method for activation energies of hydrogen abstraction reactions, Chem. Phys. Chem, vol.7, pp.188-199, 2006. ,
Reaction pathways and product yields in mild thermal cracking of vacuum residues: A multi-lump kinetic model, Bell System Tech. J, vol.27, pp.239-248, 1948. ,
Structure of complex mixtures through characterization, reaction, and modeling, 1993. ,
Representation of the molecular structure of petroleum resid through characterization and Monte Carlo modeling, Energ. Fuel, vol.8, pp.576-580, 1994. ,
Two Severity Indices for Scale-Up of Steam Cracking Coils, Ind. Eng. Chem. Res, vol.44, pp.3402-3411, 2005. ,
Automatic Network generation using RMG for Steam Cracking of n-Hexane, AIChE J, vol.52, pp.718-730, 2006. ,
Molecular reconstruction of naphtha steam cracking feedstocks based on commercial indices, Comput. Chem. Eng, vol.31, pp.1020-1034, 2007. ,
Comprehensive two-dimensional Gas chromatography for Detailed Characterisation of Petroleum products, Oil Gas Sci. Technol, vol.62, pp.43-55, 2007. ,
URL : https://hal.archives-ouvertes.fr/hal-00617264
Molecular Reconstruction of Vacuum Gas Oils, Prepr. Pap.-Am, 2004. ,
, Chem. Soc., Div. Fuel Chem, vol.49, pp.20-21
Computer based generation of reaction mechanisms for gas-phase oxidation, Comput. Chem, vol.24, pp.541-560, 2000. ,
A Lumping Analysis in Monomolecular Reaction Systems-Analysis of the Exactly Lumpable System, Ind. Eng. Chem. Fund, vol.8, p.114, 1969. ,
Kinetic modelling of the Thermal Cracking of Hydrocarbons. 1. Calculation of frequency factors, Ind. Eng. Chem. Res, vol.27, pp.1959-1966, 1988. ,
, 3-dimethyl-pentane, 2-methyl-hexane, 3-methyl-hexane, 4-methyl-hexane, heptane, 1,3-dimethyl-cyclopentane, ethyl-cyclopentane, methyl-cyclohexane, 1,2-dimethyl-cyclopentane, 1,1-dimethylcyclopentane, toluene C9 2-methyl-octane, 3-methyl-octane, 4-methyl-octane, 2,6-dimethyl-heptane, 3,3-dimethyl-heptane, 3-ethyl-heptane, nonane, n-butyl-cyclopentane, 1,1,3-trimethyl-cyclohexane, (1-methylethyl)cyclohexane, n-propyl-cyclohexane, 1,2,3-trimethylbenzene, n-propyl-benzene, 1,3,5-trimethyl-benzene, 2-ethyl-1-methyl-benzene C11 2-undecene, 2-methyl-decane, 3-methyl-decane, 4-methyl-decane, 3,5-dimethyl-nonane, 2,6-dimethyl-nonane, undecane, n-pentylcyclohexane, 1-methyl-naphthalene C13 2,6-dimethyl-undecane,3-methyl-dodecane, 4-methyl-dodecane, tridecane C15 3-methyl-tetradecane, 4-methyl-tetradecane, pentadecane C17 3-methyl-hexadecane, heptadecane C19 3-methyl-octadecane, nonadecane C4 isobutane, butane C6 2-methyl-pentane, 3-methyl pentane, 2,3-dimethylbutane, 2,2-dimethyl-butane, hexane, methyl-cyclopentane, cyclohexane, benzene C8 2-methyl-heptane, 3-methyl-heptane, 4-methylheptane, 2,4-dimethyl-hexane, 2,5-dimethyl-hexane, 3,3-dimethyl-hexane, 2,3,4-trimethyl-pentane, 3-ethyl-hexane, octane, iso-propyl-cyclopentane, 1,4-dimethyl-cyclohexane, (1-methyletyl)cyclopentane, 1,3-dimethyl-cyclohexane, ethyl-cyclohexane, ethyl-benzene, o-xylene, p-xylene, m-xylene C10 2-methyl-nonane, 3-methyl-nonane, 4-methylnonane, vol.3