메뉴 건너뛰기




Volumn , Issue , 2005, Pages 1-238

Molecular modeling in heavy hydrocarbon conversions

Author keywords

[No Author keywords available]

Indexed keywords

HYDROCARBONS; HYDROCRACKING; KINETIC PARAMETERS; KINETIC THEORY; REACTION KINETICS;

EID: 85055201883     PISSN: None     EISSN: None     Source Type: Book    
DOI: 10.1201/9781420030617     Document Type: Book
Times cited : (40)

References (259)
  • 1
    • 0024640077 scopus 로고
    • On reactions in continuous mixtures
    • Aris, R., On reactions in continuous mixtures, AIChE J., 35, 539–548, 1989.
    • (1989) Aiche J , vol.35 , pp. 539-548
    • Aris, R.1
  • 2
    • 0024064320 scopus 로고
    • Lumping nonlinear kinetics
    • Astarita, G. and Ocone, R., Lumping nonlinear kinetics, AIChE J., 34, 1299, 1988.
    • (1988) Aiche J , vol.34 , pp. 1299
    • Astarita, G.1    Ocone, R.2
  • 3
    • 0021785218 scopus 로고
    • Computer generation of reaction networks and calculation of product distributions in the hydroisomerization and hydrocracking of paraffins on Pt-containing bifunctional catalysts
    • Baltanas, M.A. and Froment, G.F., Computer generation of reaction networks and calculation of product distributions in the hydroisomerization and hydrocracking of paraffins on Pt-containing bifunctional catalysts, Comput. Chem. Eng., 9, 71–81, 1985.
    • (1985) Comput. Chem. Eng. , vol.9 , pp. 71-81
    • Baltanas, M.A.1    Froment, G.F.2
  • 4
    • 0001567202 scopus 로고    scopus 로고
    • Kinetic research on heter-ogeneously catalysed processes: A questionnaire on the state-of-the-art in industry
    • Bos, A.N.R, Lefferts, L., Marin, G.B., and Steijns, M.H.G.M., Kinetic research on heter-ogeneously catalysed processes: a questionnaire on the state-of-the-art in industry, Appl. Catal. A: Gen., 160, 185–190, 1997.
    • (1997) Appl. Catal. A: Gen. , vol.160 , pp. 185-190
    • Bos, A.N.R.1    Lefferts, L.2    Marin, G.B.3    Steijns, M.H.G.M.4
  • 5
    • 0028410110 scopus 로고
    • Computer generated pyrolysis modeling: On-the-fly generation of species, reactions and rates
    • Broadbelt, L.J., Stark, S.M., and Klein, M.T., Computer generated pyrolysis modeling: on-the-fly generation of species, reactions and rates, Ind. Eng. Chem. Res., 33, 790–799, 1994.
    • (1994) Ind. Eng. Chem. Res. , vol.33 , pp. 790-799
    • Broadbelt, L.J.1    Stark, S.M.2    Klein, M.T.3
  • 6
    • 0021215984 scopus 로고
    • Computer generation of reaction paths and rate equations in the thermal cracking of normal and branched paraffins
    • Clymans, P.J. and Froment, G.F., Computer generation of reaction paths and rate equations in the thermal cracking of normal and branched paraffins, Comput. Chem. Eng., 8, 137–142, 1984.
    • (1984) Comput. Chem. Eng. , vol.8 , pp. 137-142
    • Clymans, P.J.1    Froment, G.F.2
  • 7
    • 0018651013 scopus 로고
    • Detailed prediction of olefin yields from hydrocarbon pyrolysis through a fundamental simulation model (SPYRO)
    • Dente, M., Ranzi, E., and Goossens, A.G., Detailed prediction of olefin yields from hydrocarbon pyrolysis through a fundamental simulation model (SPYRO), Comput. Chem. Eng., 3, 61–75, 1979.
    • (1979) Comput. Chem. Eng. , vol.3 , pp. 61-75
    • Dente, M.1    Ranzi, E.2    Goossens, A.G.3
  • 9
    • 0025419961 scopus 로고
    • Lumped kinetics of structural groups: Hydrotreating of heavy distillates
    • Gray, M.R., Lumped kinetics of structural groups: hydrotreating of heavy distillates, Ind. Eng. Chem. Res., 25, 505–512, 1990.
    • (1990) Ind. Eng. Chem. Res. , vol.25 , pp. 505-512
    • Gray, M.R.1
  • 10
    • 0023842254 scopus 로고
    • Computer generation of reaction schemes and rate equations for thermal cracking
    • Hillewaert, L.P., Dierickx, J.L., and Froment, G.F., Computer generation of reaction schemes and rate equations for thermal cracking, AIChE J., 34(1), 17–24, 1988.
    • (1988) Aiche J , vol.34 , Issue.1 , pp. 17-24
    • Hillewaert, L.P.1    Dierickx, J.L.2    Froment, G.F.3
  • 11
    • 0016980819 scopus 로고
    • A lumping and reaction scheme for catalytic cracking
    • Jacob, S.M., Gross, B., Volts, S.E., and Weekman, V.W., A lumping and reaction scheme for catalytic cracking, AIChE J., 22, 701–713, 1976.
    • (1976) Aiche J. , vol.22 , pp. 701-713
    • Jacob, S.M.1    Gross, B.2    Volts, S.E.3    Weekman, V.W.4
  • 12
    • 49549146245 scopus 로고
    • On identifying the primary and secondary products of the catalytic cracking of neutral distillates
    • John, T.M. and Wojciechowski, B.W., On identifying the primary and secondary products of the catalytic cracking of neutral distillates, J. Catal., 37, 348, 1975.
    • (1975) J. Catal. , vol.37 , pp. 348
    • John, T.M.1    Wojciechowski, B.W.2
  • 15
    • 0030241937 scopus 로고    scopus 로고
    • Continuous lumping model for simulation of hydrocracking
    • Laxminarasimhan, C.S., Verma, R.P., and Ramachandran, P.A., Continuous lumping model for simulation of hydrocracking, AIChE J., 42(9) 2645–2653, 1996.
    • (1996) Aiche J , vol.42 , Issue.9 , pp. 2645-2653
    • Laxminarasimhan, C.S.1    Verma, R.P.2    Ramachandran, P.A.3
  • 18
    • 0026943945 scopus 로고
    • Structure oriented lumping: Describing the chemistry of complex hydrocarbon mixtures
    • Quann, R.J. and Jaffe, S.B., Structure oriented lumping: describing the chemistry of complex hydrocarbon mixtures, Ind. Eng. Chem. Res., 31(11), 2483–2497, 1992.
    • (1992) Ind. Eng. Chem. Res. , vol.31 , Issue.11 , pp. 2483-2497
    • Quann, R.J.1    Jaffe, S.B.2
  • 19
    • 0030141240 scopus 로고    scopus 로고
    • Building useful models of complex reaction systems in petroleum refining
    • Quann, R.J. and Jaffe, S.B., Building useful models of complex reaction systems in petroleum refining, Chem. Eng. Sci., 51(10), 1615, 1996.
    • (1996) Chem. Eng. Sci. , vol.51 , Issue.10 , pp. 1615
    • Quann, R.J.1    Jaffe, S.B.2
  • 20
    • 77956837258 scopus 로고
    • KINPTR (Mobil’s Kinetic Reforming Model): A review of Mobil’s industrial process modeling philosophy
    • Ramage, M.P., Graziani, K.R., Schipper, P.H., Krambeck, F.J., and Choi, B.C., KINPTR (Mobil’s Kinetic Reforming Model): a review of Mobil’s industrial process modeling philosophy, Adv. Chem. Eng., 13, 193, 1987.
    • (1987) Adv. Chem. Eng. , vol.13 , pp. 193
    • Ramage, M.P.1    Graziani, K.R.2    Schipper, P.H.3    Krambeck, F.J.4    Choi, B.C.5
  • 21
    • 0015995185 scopus 로고
    • A kinetic model for the prediction of hydrocracker yields
    • Stangeland, B.E., A kinetic model for the prediction of hydrocracker yields, I&EC Proc. Des. Dev., 13, 71, 1974.
    • (1974) I&EC Proc. Des. Dev. , vol.13 , Issue.71
    • Stangeland, B.E.1
  • 22
    • 0017633580 scopus 로고
    • Modeling of thermal cracking kinetics
    • Sundaram, K.M. and Froment, G.F., Modeling of thermal cracking kinetics, Chem. Eng. Sci., 32, 601–608, 1977a.
    • (1977) Chem. Eng. Sci. , vol.32 , pp. 601-608
    • Sundaram, K.M.1    Froment, G.F.2
  • 23
    • 0017634143 scopus 로고
    • Modeling of thermal cracking kinetics II
    • Sundaram, K.M. and Froment, G.F., Modeling of thermal cracking kinetics II, Chem. Eng. Sci., 32, 609–617, 1977b.
    • (1977) Chem. Eng. Sci. , vol.32 , pp. 609-617
    • Sundaram, K.M.1    Froment, G.F.2
  • 24
    • 0018005990 scopus 로고
    • Modeling of thermal kinetics. 3. Radical mechanisms for the pyrolysis of simple paraffins, olefins and their mixtures
    • Sundaram, K.M. and Froment, G.F., Modeling of thermal kinetics. 3. Radical mechanisms for the pyrolysis of simple paraffins, olefins and their mixtures, Ind. Eng. Chem. Fund., 17, 174–182, 1978.
    • (1978) Ind. Eng. Chem. Fund. , vol.17 , pp. 174-182
    • Sundaram, K.M.1    Froment, G.F.2
  • 25
    • 0016575387 scopus 로고
    • Thermal cracking of propane and propane-propylene mixtures: Pilot plant versus industrial data
    • Van Damme, P.S., Narayanan, S., and Froment, G.F., Thermal cracking of propane and propane-propylene mixtures: pilot plant versus industrial data, AIChE J., 21, 1065–1073, 1975.
    • (1975) Aiche J. , vol.21 , pp. 1065-1073
    • van Damme, P.S.1    Narayanan, S.2    Froment, G.F.3
  • 26
    • 0018699602 scopus 로고
    • Lumps, models, and kinetics in practice
    • Weekman, V.W., Lumps, models, and kinetics in practice, AICHE Monograph Series, 75, 1979.
    • (1979) AICHE Monograph Series , vol.75
    • Weekman, V.W.1
  • 27
    • 0002657287 scopus 로고
    • Composition of heavy petroleums. 1. Molecular weight, hydrogen deficiency, and heteroatomic concentration as a function of atmospheric equivalent boiling point up to 1400°F
    • Boduszynski, M.M., Composition of heavy petroleums. 1. Molecular weight, hydrogen deficiency, and heteroatomic concentration as a function of atmospheric equivalent boiling point up to 1400°F, Energy Fuels, 1, 2, 1987.
    • (1987) Energy Fuels , vol.1 , Issue.2
    • Boduszynski, M.M.1
  • 29
    • 0025476313 scopus 로고
    • Rationalization for the molecular weight distribution of coal pyrolysis liquids
    • Darivakis, G.S., Peters, W. A., and Howard, J. B., Rationalization for the molecular weight distribution of coal pyrolysis liquids, AIChE J., 36(8), 1189, 1990.
    • (1990) Aiche J , vol.36 , Issue.8 , pp. 1189
    • Darivakis, G.S.1    Peters, W.A.2    Howard, J.B.3
  • 30
    • 0004986839 scopus 로고
    • Molecular size distribution in linear condensation polymers
    • Flory, P.J., Molecular size distribution in linear condensation polymers, J. Am. Chem. Soc., 58, 1877, 1936.
    • (1936) J. Am. Chem. Soc. , vol.58 , pp. 1877
    • Flory, P.J.1
  • 32
    • 0025595789 scopus 로고
    • Monte Carlo simulation of complex reaction systems: Molecular structure and reactivity in modelling heavy oils
    • Neurock, M. N., Nigam, A., Libanati, C., Klein, M. T., Monte Carlo simulation of complex reaction systems: molecular structure and reactivity in modelling heavy oils, Chem. Eng. Sci., 45(8), 2083–2088, 1990.
    • (1990) Chem. Eng. Sci. , vol.45 , Issue.8 , pp. 2083-2088
    • Neurock, M.N.1    Nigam, A.2    Libanati, C.3    Klein, M.T.4
  • 33
    • 0026865518 scopus 로고
    • PVT calculations of petroleum reservoir fluids using measured and estimated compositional data for the plus fraction
    • Pederson, K.S., Blilie, A.L., and Meisingset, K.K., PVT calculations of petroleum reservoir fluids using measured and estimated compositional data for the plus fraction, Ind. Eng. Chem. Res., 31, 1378–1384, 1992.
    • (1992) Ind. Eng. Chem. Res. , vol.31 , pp. 1378-1384
    • Pederson, K.S.1    Blilie, A.L.2    Meisingset, K.K.3
  • 34
    • 0028422946 scopus 로고
    • CPU issues in the representation of the molecular structure of petroleum resid through characterization, reaction, and Monte Carlo modeling
    • Petti, T.F., Trauth, D.M., Stark, S.M., Neurock, M.N., Yasar, M., and Klein, M.T., CPU issues in the representation of the molecular structure of petroleum resid through characterization, reaction, and Monte Carlo modeling, Energy Fuels, 8(3), 570–575, 1994a.
    • (1994) Energy Fuels , vol.8 , Issue.3 , pp. 570-575
    • Petti, T.F.1    Trauth, D.M.2    Stark, S.M.3    Neurock, M.N.4    Yasar, M.5    Klein, M.T.6
  • 35
    • 0023175420 scopus 로고
    • Phase equilibrium calculations for continuous and semicontinuous mixtures
    • Shibata, S.K., Sandler, S.I., and Behrens, R.A., Phase equilibrium calculations for continuous and semicontinuous mixtures, Chem. Eng. Sci., 42, 1977–1988, 1987.
    • (1987) Chem. Eng. Sci. , vol.42 , pp. 1977-1988
    • Shibata, S.K.1    Sandler, S.I.2    Behrens, R.A.3
  • 37
    • 0028423602 scopus 로고
    • Representation of the molecular structure of petroleum resid through characterization and Monte Carlo modeling
    • Trauth, D.M., Stark, S.M., Petti, T.F., Neurock, M.N., and Klein, M.T., Representation of the molecular structure of petroleum resid through characterization and Monte Carlo modeling, Energy Fuels, 8(3), 576–580, 1994.
    • (1994) Energy Fuels , vol.8 , Issue.3 , pp. 576-580
    • Trauth, D.M.1    Stark, S.M.2    Petti, T.F.3    Neurock, M.N.4    Klein, M.T.5
  • 38
    • 85055214219 scopus 로고    scopus 로고
    • Stochastic Modeling of Heavy Petroleum Feedstock: Use of Reactivity Information in Structure Determination
    • Vasudeva, A., Stochastic Modeling of Heavy Petroleum Feedstock: Use of Reactivity Information in Structure Determination, MS thesis, University of Delaware, Newark, 1999.
    • (1999) MS Thesis, University of Delaware, Newark
    • Vasudeva, A.1
  • 39
    • 0001743818 scopus 로고
    • Characterizing hydrocarbon plus fractions
    • Whitson, C.H., Characterizing hydrocarbon plus fractions, Soc. Pet. Eng. J., 683, 1990.
    • (1990) Soc. Pet. Eng. J. , pp. 683
    • Whitson, C.H.1
  • 41
    • 0028727474 scopus 로고
    • Computer generated reaction networks: On-the-fly calculation of species properties using computational quantum chemistry
    • Broadbelt, L.J., Stark, S.M., and Klein, M.T., Computer generated reaction networks: on-the-fly calculation of species properties using computational quantum chemistry, Chem. Eng. Sci., 49, 4991–5101, 1994a.
    • (1994) Chem. Eng. Sci. , vol.49 , pp. 4991-5101
    • Broadbelt, L.J.1    Stark, S.M.2    Klein, M.T.3
  • 42
    • 0028410110 scopus 로고
    • Computer generated pyrolysis modeling: On-the-fly generation of species, reactions and rates
    • Broadbelt, L.J., Stark, S.M., and Klein, M.T., Computer generated pyrolysis modeling: on-the-fly generation of species, reactions and rates, Ind. Eng. Chem. Res., 33, 790–799, 1994b.
    • (1994) Ind. Eng. Chem. Res. , vol.33 , pp. 790-799
    • Broadbelt, L.J.1    Stark, S.M.2    Klein, M.T.3
  • 43
    • 0030086839 scopus 로고    scopus 로고
    • Computer generated reaction modeling: Decomposition and encoding algorithms for determining species uniqueness
    • Broadbelt, L.J., Stark, S.M., and Klein, M.T., Computer generated reaction modeling: decomposition and encoding algorithms for determining species uniqueness, Comput. Chem. Eng., 20, 113–129, 1996.
    • (1996) Comput. Chem. Eng. , vol.20 , pp. 113-129
    • Broadbelt, L.J.1    Stark, S.M.2    Klein, M.T.3
  • 44
    • 18844424175 scopus 로고
    • Inertia and driving force of chemical reactions
    • Evans, M.G. and Polyani, M., Inertia and driving force of chemical reactions, Trans. Faraday Soc., 34, 11, 1938.
    • (1938) Trans. Faraday Soc. , vol.34 , pp. 11
    • Evans, M.G.1    Polyani, M.2
  • 46
    • 0033165520 scopus 로고    scopus 로고
    • Directed Kinetic Model Building: Seeding as a model reduction tool
    • Joshi, P.V., Freund, H., Klein, M.T., Directed Kinetic Model Building: Seeding as a model reduction tool, Energy Fuel, 13(4), 877–880, 1999.
    • (1999) Energy Fuel , vol.13 , Issue.4 , pp. 877-880
    • Joshi, P.V.1    Freund, H.2    Klein, M.T.3
  • 49
    • 0000966658 scopus 로고
    • Linear free energy relationships in heterogeneous catalysis. I. Dealkylation of alkylbenzenes on cracking catalysts
    • Mochida, I. and Yoneda, Y., Linear free energy relationships in heterogeneous catalysis. I. Dealkylation of alkylbenzenes on cracking catalysts, J. Catal., 7, 386–392, 1967a.
    • (1967) J. Catal. , vol.7 , pp. 386-392
    • Mochida, I.1    Yoneda, Y.2
  • 50
    • 0000966661 scopus 로고
    • Linear free energy relationships in heterogeneous catalysis. II. Dealkylation and isomerization reactions on various solid acid catalysts
    • Mochida, I. and Yoneda, Y., Linear free energy relationships in heterogeneous catalysis. II. Dealkylation and isomerization reactions on various solid acid catalysts, J. Catal., 7, 393–396, 1967b.
    • (1967) J. Catal. , vol.7 , pp. 393-396
    • Mochida, I.1    Yoneda, Y.2
  • 51
    • 0000966659 scopus 로고
    • Linear free energy relationships in heterogeneous catalysis. III. Temperature effects in dealkylation of alkylbenzenes on the cracking catalysts
    • Mochida, I. and Yoneda, Y. Linear free energy relationships in heterogeneous catalysis. III. Temperature effects in dealkylation of alkylbenzenes on the cracking catalysts, J. Catal., 7, 223–230, 1967c.
    • (1967) J. Catal. , vol.7 , pp. 223-230
    • Mochida, I.1    Yoneda, Y.2
  • 52
    • 0026943945 scopus 로고
    • Structure-oriented lumping: Describing the chemistry of complex hydrocarbon mixtures
    • Quann, R.J. and Jaffe, S.B., Structure-oriented lumping: describing the chemistry of complex hydrocarbon mixtures, Ind. Eng. Chem. Res., 31(11), 2483, 1992.
    • (1992) Ind. Eng. Chem. Res. , vol.31 , Issue.11 , pp. 2483
    • Quann, R.J.1    Jaffe, S.B.2
  • 53
    • 0030141240 scopus 로고    scopus 로고
    • Building useful models of complex reaction systems in petroleum refining
    • Quann, R.J. and Jaffe, S.B., Building useful models of complex reaction systems in petroleum refining, Chem. Eng. Sci., 51(10), 1615, 1996.
    • (1996) Chem. Eng. Sci. , vol.51 , Issue.10 , pp. 1615
    • Quann, R.J.1    Jaffe, S.B.2
  • 55
    • 0001353594 scopus 로고
    • Reduction of large reaction mechanisms
    • Turanyi, T., Reduction of large reaction mechanisms, New J. Chem., 14, 795–803, 1990.
    • (1990) New J. Chem. , vol.14 , pp. 795-803
    • Turanyi, T.1
  • 57
    • 0030150472 scopus 로고    scopus 로고
    • Mechanistic modeling of n-heptane cracking on HZSM-5
    • Watson, B.A., Klein, M.T., and Harding, R.H., Mechanistic modeling of n-heptane cracking on HZSM-5, Ind. Eng. Chem. Res., 35(5), 1506–1516, 1996.
    • (1996) Ind. Eng. Chem. Res. , vol.35 , Issue.5 , pp. 1506-1516
    • Watson, B.A.1    Klein, M.T.2    Harding, R.H.3
  • 58
    • 85012736041 scopus 로고
    • The influence of reactant structure on reactivity and isotope effects in the cracking of alkylbenzenes over an acid catalyst
    • Andreu, P. and Ramirez, M.M., The influence of reactant structure on reactivity and isotope effects in the cracking of alkylbenzenes over an acid catalyst, Proc. 6th Int. Congr. Catal., 1, 593–602, 1977.
    • (1977) Proc. 6Th Int. Congr. Catal. , vol.1 , pp. 593-602
    • Andreu, P.1    Ramirez, M.M.2
  • 61
    • 0024478640 scopus 로고
    • Fundamental kinetic modeling of hydroisomerization and hydrocracking on noble-metal-loaded faujacites. 1. Rate parameters for hydroisomerization
    • Baltanas, M.A., Van Raemdonck, K.K., Froment, G.F., and Mohedas, S.R., Fundamental kinetic modeling of hydroisomerization and hydrocracking on noble-metal-loaded faujacites. 1. Rate parameters for hydroisomerization, Ind. Eng. Chem. Res., 28, 899–910, 1989.
    • (1989) Ind. Eng. Chem. Res. , vol.28 , pp. 899-910
    • Baltanas, M.A.1    van Raemdonck, K.K.2    Froment, G.F.3    Mohedas, S.R.4
  • 63
    • 0022810484 scopus 로고
    • Classical catalytic kinetics: A placebo or the real thing?
    • Boudart, M., Classical catalytic kinetics: a placebo or the real thing? Ind. Eng. Chem. Fundam., 25, 656, 1986.
    • (1986) Ind. Eng. Chem. Fundam. , vol.25 , pp. 656
    • Boudart, M.1
  • 64
    • 0023330878 scopus 로고
    • The effect of structure on reactivity in zeolite catalyzed acylation of aromatic compounds: A ρ-σ+ relationship
    • Chiche, B., Finiels, A., Gauthier, C., and Geneste, P., The effect of structure on reactivity in zeolite catalyzed acylation of aromatic compounds: a ρ-σ+ relationship, Appl. Catal., 30, 365–369, 1987.
    • (1987) Appl. Catal. , vol.30 , pp. 365-369
    • Chiche, B.1    Finiels, A.2    Gauthier, C.3    Geneste, P.4
  • 65
    • 0012172405 scopus 로고
    • Cracking of long-chain alkyl aromatics on USY zeolite catalysts
    • Corma, A., Miguel, P.J., Orchilles, A.V., and Koermer, G.S., Cracking of long-chain alkyl aromatics on USY zeolite catalysts, J. Catal., 135, 45–59 1992.
    • (1992) J. Catal. , vol.135 , pp. 45-59
    • Corma, A.1    Miguel, P.J.2    Orchilles, A.V.3    Koermer, G.S.4
  • 67
    • 0342385393 scopus 로고
    • Linear free energy relationships in modeling heterogeneous catalytic reactions
    • Dunn, I.J., Linear free energy relationships in modeling heterogeneous catalytic reactions, J. Catal., 12, 335–340, 1968.
    • (1968) J. Catal. , vol.12 , pp. 335-340
    • Dunn, I.J.1
  • 68
    • 18844424175 scopus 로고
    • Inertia and driving force of chemical reactions
    • Evans, M.G. and Polanyi, M., Inertia and driving force of chemical reactions, Trans. Faraday Soc., 34, 1138, 1938.
    • (1938) Trans. Faraday Soc. , vol.34 , pp. 1138
    • Evans, M.G.1    Polanyi, M.2
  • 69
    • 0022765253 scopus 로고
    • Kinetics of the hydroisomerization and hydrocracking of paraffins on a platinum containing bifunctional Y-zeolite
    • Froment, G.F., Kinetics of the hydroisomerization and hydrocracking of paraffins on a platinum containing bifunctional Y-zeolite, Catal. Today, 1, 455–473, 1987.
    • (1987) Catal. Today , vol.1 , pp. 455-473
    • Froment, G.F.1
  • 71
    • 0025419961 scopus 로고
    • Lumped kinetics of structural groups: Hydrotreating of heavy distillate
    • Gray, M.R., Lumped kinetics of structural groups: hydrotreating of heavy distillate, Ind. Eng. Chem. Res., 29, 505–512, 1990.
    • (1990) Ind. Eng. Chem. Res. , vol.29 , pp. 505-512
    • Gray, M.R.1
  • 72
    • 0002801544 scopus 로고
    • The effect of structure upon the reactions of organic compounds. Ben-ezene
    • Hammett, L.P., The effect of structure upon the reactions of organic compounds. Ben-ezene., J. Am. Chem. Soc., 59, 96, 1937.
    • (1937) J. Am. Chem. Soc. , vol.59 , pp. 96
    • Hammett, L.P.1
  • 73
    • 0020782772 scopus 로고
    • Hydrocracking polycyclic hydrocarbons over a dual-functional zeolite (Faujacite)-based catalyst
    • Haynes, H.W.J., Parcher, J.F., and Helmer, N.E., Hydrocracking polycyclic hydrocarbons over a dual-functional zeolite (faujacite)-based catalyst, Ind. Eng. Chem. Process Des. Dev., 22, 401–409, 1983.
    • (1983) Ind. Eng. Chem. Process Des. Dev. , vol.22 , pp. 401-409
    • Haynes, H.W.J.1    Parcher, J.F.2    Helmer, N.E.3
  • 74
    • 0002618864 scopus 로고
    • New catalyst improves heavy feedstock hydrocracking
    • Hoek, A., Huizinga, T., Esener, A.A., et al., New catalyst improves heavy feedstock hydrocracking, Oil Gas J., 77–82, 89(16), 1991.
    • (1991) Oil Gas J , vol.89 , Issue.16 , pp. 77-82
    • Hoek, A.1    Huizinga, T.2    Esener, A.A.3
  • 75
    • 0023542801 scopus 로고
    • Hydrodealkylation of alkylbenzenes on a nickel-molybdenum/alumina catalyst
    • Jik, K.J., Uchytil, J., and Kraus, M., Hydrodealkylation of alkylbenzenes on a nickel-molybdenum/alumina catalyst, Appl. Catal., 35, 289–298, 1987.
    • (1987) Appl. Catal. , vol.35 , pp. 289-298
    • Jik, K.J.1    Uchytil, J.2    Kraus, M.3
  • 76
    • 49949143448 scopus 로고
    • Hydrogenolysis of saturated hydrocarbons on a nickel catalyst I. Kinetics of hydrogenolysis of ethylcyclohexane and reactivity of alkylcyclohexanes
    • Kochloefl, K. and Bazant, V., Hydrogenolysis of saturated hydrocarbons on a nickel catalyst I. Kinetics of hydrogenolysis of ethylcyclohexane and reactivity of alkylcyclohexanes, J. Catal., 8, 250–260, 1967.
    • (1967) J. Catal. , vol.8 , pp. 250-260
    • Kochloefl, K.1    Bazant, V.2
  • 78
    • 0025894476 scopus 로고
    • Catalytic hydrogenation and hydrocracking of fluorene: Reaction pathways, kinetics and mechanisms
    • Lapinas, A.T., Klein, M.T., Gates, B.C., Macris, A., and Lyons, J.E., Catalytic hydrogenation and hydrocracking of fluorene: reaction pathways, kinetics and mechanisms, Ind. Eng. Chem. Res., 30, 42–50, 1991.
    • (1991) Ind. Eng. Chem. Res. , vol.30 , pp. 42-50
    • Lapinas, A.T.1    Klein, M.T.2    Gates, B.C.3    Macris, A.4    Lyons, J.E.5
  • 79
    • 45449124566 scopus 로고
    • Poisoning of thiophene hydrodesulfurization by nitrogen compounds
    • La Vopa, V. and Satterfield, C.N., Poisoning of thiophene hydrodesulfurization by nitrogen compounds, J. Catal., 110, 375, 1988.
    • (1988) J. Catal. , vol.110 , pp. 375
    • la Vopa, V.1    Satterfield, C.N.2
  • 80
    • 0021577330 scopus 로고
    • Phenanthrene hydroconversion as a potential test reaction for the hydrogenating and cracking properties of coal hydroliquefaction catalysts
    • Lemberton, J.-L. and Guisnet, M., Phenanthrene hydroconversion as a potential test reaction for the hydrogenating and cracking properties of coal hydroliquefaction catalysts, Appl. Catal., 13, 181–192, 1984.
    • (1984) Appl. Catal. , vol.13 , pp. 181-192
    • Lemberton, J.-L.1    Guisnet, M.2
  • 81
    • 0024681057 scopus 로고
    • Structural models for catalytic cracking. 1. Model compound reactions
    • Liguras, D.K. and Allen, D.T., Structural models for catalytic cracking. 1. Model compound reactions, Ind. Eng. Chem. Res., 28, 665–673, 1989.
    • (1989) Ind. Eng. Chem. Res. , vol.28 , pp. 665-673
    • Liguras, D.K.1    Allen, D.T.2
  • 82
    • 0542444520 scopus 로고
    • Catalytic dealkylation of alkylaromatic compounds. XV. The effect of structure of alkylnaphthalenes on the rate of their hydrodealkylation on a nickel catalyst
    • Machácek, H., Kochloefl, K., and Kraus, M., Catalytic dealkylation of alkylaromatic compounds. XV. The effect of structure of alkylnaphthalenes on the rate of their hydrodealkylation on a nickel catalyst, Collection Czechoslov. Chem. Commun., 31, 576–584, 1966.
    • (1966) Collection Czechoslov. Chem. Commun. , vol.31 , pp. 576-584
    • Machácek, H.1    Kochloefl, K.2    Kraus, M.3
  • 84
    • 0000966658 scopus 로고
    • Linear free energy relationships in heterogeneous catalysis. I. Dealkylation of alkylbenzenes on cracking catalysts
    • Mochida, I. and Yoneda, Y., Linear free energy relationships in heterogeneous catalysis. I. Dealkylation of alkylbenzenes on cracking catalysts., J. Catal., 7, 386–392, 1967a.
    • (1967) J. Catal. , vol.7 , pp. 386-392
    • Mochida, I.1    Yoneda, Y.2
  • 85
    • 0000966661 scopus 로고
    • Linear free energy relationships in heterogeneous catalysis. II. Dealkylation and isomerization reactions on various solid acid catalysts
    • Mochida, I. and Yoneda, Y., Linear free energy relationships in heterogeneous catalysis. II. Dealkylation and isomerization reactions on various solid acid catalysts, J. Catal., 7, 393–396, 1967b.
    • (1967) J. Catal. , vol.7 , pp. 393-396
    • Mochida, I.1    Yoneda, Y.2
  • 86
    • 0000966659 scopus 로고
    • Linear free energy relationships in heterogeneous catalysis. III. Temperature effects in dealkylation of alkylbenzenes on the cracking catalysts
    • Mochida, I. and Yoneda, Y., Linear free energy relationships in heterogeneous catalysis. III. Temperature effects in dealkylation of alkylbenzenes on the cracking catalysts, J. Catal., 8, 223–230, 1967c.
    • (1967) J. Catal. , vol.8 , pp. 223-230
    • Mochida, I.1    Yoneda, Y.2
  • 90
    • 84963333706 scopus 로고
    • Linear free energy relationships in kinetic analyses: Applications of quantum chemistry
    • Neurock, M. and Klein, M.T., Linear free energy relationships in kinetic analyses: applications of quantum chemistry, Polyc. Arom. Compounds, 3, 231–246, 1993a.
    • (1993) Polyc. Arom. Compounds , vol.3 , pp. 231-246
    • Neurock, M.1    Klein, M.T.2
  • 92
    • 0026943945 scopus 로고
    • Structure-oriented lumping: Describing the chemistry of complex hydrocarbon mixtures
    • Quann, R.J. and Jaffe, S.B., Structure-oriented lumping: describing the chemistry of complex hydrocarbon mixtures, Ind. Eng. Chem. Res., 31, 2483–2497, 1992.
    • (1992) Ind. Eng. Chem. Res. , vol.31 , pp. 2483-2497
    • Quann, R.J.1    Jaffe, S.B.2
  • 94
    • 84949372732 scopus 로고
    • Ph.D. thesis, University of Delaware
    • 3, Ph.D. thesis, University of Delaware, 1980.
    • (1980) 3
    • Sapre, A.V.1
  • 95
    • 0019682138 scopus 로고
    • Hydroisomerization and hydrocracking. 3. Kinetic analysis of rate data for n-decane and n-dodecane
    • Steijns, M. and Froment, G.F., Hydroisomerization and hydrocracking. 3. Kinetic analysis of rate data for n-decane and n-dodecane, Ind. Eng. Chem. Prod. Res. Dev., 20, 660–668, 1981.
    • (1981) Ind. Eng. Chem. Prod. Res. Dev. , vol.20 , pp. 660-668
    • Steijns, M.1    Froment, G.F.2
  • 96
    • 0024731591 scopus 로고
    • Molecular transformations in hydrotreating and hydrocracking
    • Sullivan, R.F., Boduszynski, M.M., and Fetzer, J.F., Molecular transformations in hydrotreating and hydrocracking, Energy & Fuels, 3, 603–612, 1989.
    • (1989) Energy & Fuels , vol.3 , pp. 603-612
    • Sullivan, R.F.1    Boduszynski, M.M.2    Fetzer, J.F.3
  • 97
    • 0001046310 scopus 로고
    • Determination of Mechanism of catalyzed gaseous reactions
    • Yang, K.H. and Hougen, O.A., Determination of Mechanism of catalyzed gaseous reactions, Chem. Eng. Progress, 46/37, 146-147, 1950.
    • (1950) Chem. Eng. Progress , vol.46 , pp. 146-147
    • Yang, K.H.1    Hougen, O.A.2
  • 99
    • 85055209595 scopus 로고    scopus 로고
    • personal communication
    • Hindmarsh, A.C., personal communication, 1998.
    • (1998)
    • Hindmarsh, A.C.1
  • 101
    • 0017633580 scopus 로고
    • Modeling of thermal cracking kinetics
    • Sundaram, K.M. and Froment, G.F., Modeling of thermal cracking kinetics. I, Chem. Eng. Sci., 32, 601–608, 1977a.
    • (1977) I, Chem. Eng. Sci. , vol.32 , pp. 601-608
    • Sundaram, K.M.1    Froment, G.F.2
  • 102
    • 0017634143 scopus 로고
    • Modeling of thermal cracking kinetics. II
    • Sundaram, K.M. and Froment, G.F., Modeling of thermal cracking kinetics. II, Chem. Eng. Sci., 609–617, 1977b.
    • (1977) Chem. Eng. Sci. , pp. 609-617
    • Sundaram, K.M.1    Froment, G.F.2
  • 103
    • 85055158163 scopus 로고
    • The software maintenance of large software systems: Management, methods and tools
    • Elsevier, New York
    • Bennett, K.H., The software maintenance of large software systems: management, methods and tools, in Software Engineering for Large Software Systems, Kitchenham, B.A., Eds., Elsevier, New York, 1990.
    • (1990) Software Engineering for Large Software Systems, Kitchenham, B.A
    • Bennett, K.H.1
  • 105
    • 0028727474 scopus 로고
    • Computer generated reaction networks: On-the-fly calculation of species properties using computational quantum chemistry
    • Broadbelt, L.J., Stark, S.M., and Klein, M.T., Computer generated reaction networks: on-the-fly calculation of species properties using computational quantum chemistry, Chem. Eng. Sci., 49, 4991–5101, 1994a.
    • (1994) Chem. Eng. Sci. , vol.49 , pp. 4991-5101
    • Broadbelt, L.J.1    Stark, S.M.2    Klein, M.T.3
  • 106
    • 0028410110 scopus 로고
    • Computer generated pyrolysis modeling: On-the-fly generation of species, reactions and rates
    • Broadbelt, L.J., Stark, S.M., and Klein, M.T., Computer generated pyrolysis modeling: on-the-fly generation of species, reactions and rates, Ind. Eng. Chem. Res., 33, 790–799, 1994b.
    • (1994) Ind. Eng. Chem. Res. , vol.33 , pp. 790-799
    • Broadbelt, L.J.1    Stark, S.M.2    Klein, M.T.3
  • 107
    • 0030086839 scopus 로고    scopus 로고
    • Computer generated reaction modeling: Decomposition and encoding algorithms for determining species uniqueness
    • Broadbelt, L.J., Stark, S.M., and Klein, M.T., Computer generated reaction modeling: decomposition and encoding algorithms for determining species uniqueness, Comput. Chem. Eng., 20(2), 113–129, 1996.
    • (1996) Comput. Chem. Eng. , vol.20 , Issue.2 , pp. 113-129
    • Broadbelt, L.J.1    Stark, S.M.2    Klein, M.T.3
  • 109
    • 0023416976 scopus 로고
    • Minimizing multimodal functions of continuous variables with the “simulated annealing” algorithm
    • Corana, A., Marchesi, M., Martinii, C., and Ridella, S., Minimizing multimodal functions of continuous variables with the “simulated annealing” algorithm, ACM Trans. Math. Software, 13(3), 262–280, 1987.
    • (1987) ACM Trans. Math. Software , vol.13 , Issue.3 , pp. 262-280
    • Corana, A.1    Marchesi, M.2    Martinii, C.3    Ridella, S.4
  • 110
    • 84985574692 scopus 로고
    • Parameterization of complex reaction systems: Model fitting vs. fundamental kinetics
    • Edelson, D. and Allara, D.L., Parameterization of complex reaction systems: model fitting vs. fundamental kinetics, AIChE J., 19(3), 638, 1973.
    • (1973) Aiche J , vol.19 , Issue.3 , pp. 638
    • Edelson, D.1    Allara, D.L.2
  • 111
    • 43949152886 scopus 로고
    • Global optimization of statistical functions with the simulated annealing algorithm, J. Econometrics, 60, 12
    • Goffe, W.L, Ferrier, G.D., and Rogers, J., Global optimization of statistical functions with the simulated annealing algorithm, J. Econometrics, 60, 12, Jan-Feb, 65-100, 1994.
    • (1994) Jan-Feb , pp. 65-100
    • Goffe, W.L.1    Ferrier, G.D.2    Rogers, J.3
  • 113
    • 26444479778 scopus 로고
    • Optimization by simulated annealing
    • Kirkpatrick, S., Gelatt, C.D. Jr., and Vecchi, M.P., Optimization by simulated annealing, Science, 220(4598), 671, 1982.
    • (1982) Science , vol.220 , Issue.4598 , pp. 671
    • Kirkpatrick, S.1    Gelatt, C.D.2    Vecchi, M.P.3
  • 114
    • 0003452273 scopus 로고
    • A description of DASSL: A differential/algebraic system solver, Sandia Tech. Rep
    • Petzold, L.R., A description of DASSL: a differential/algebraic system solver, Sandia Tech. Rep., SAND82-8637, 1982.
    • (1982) SAND82-8637
    • Petzold, L.R.1
  • 115
    • 0030141240 scopus 로고    scopus 로고
    • Building useful models of complex reaction systems in petroleum refining
    • Quann, R.J. and Jaffe, S.B., Building useful models of complex reaction systems in petroleum refining, Chem. Eng. Sci., 51, 1615–1635, 1996.
    • (1996) Chem. Eng. Sci. , vol.51 , pp. 1615-1635
    • Quann, R.J.1    Jaffe, S.B.2
  • 116
    • 0242336335 scopus 로고
    • Description and Use of LSODE, the Livermore Solver for Ordinary Differential Equations
    • Radhakrishnan, K., Hindmarsh, A.C., Description and Use of LSODE, the Livermore Solver for Ordinary Differential Equations, NASA Reference Publication 1327, 1993.
    • (1993) NASA Reference Publication 1327
    • Radhakrishnan, K.1    Hindmarsh, A.C.2
  • 117
    • 0023420912 scopus 로고
    • Stochastic methods for global optimization. I. Clustering methods
    • Rinnooy Kan, A.H.G. and Timmer, G.T., Stochastic methods for global optimization. I. Clustering methods, Math. Programming, 39, 27–56, 1984a.
    • (1984) Math. Programming , vol.39 , pp. 27-56
    • Rinnooy Kan, A.H.G.1    Timmer, G.T.2
  • 118
    • 0023419959 scopus 로고
    • Stochastic methods for global optimization. II. Multi level methods
    • Rinnooy Kan, A.H.G. and Timmer, G.T., Stochastic methods for global optimization. II. Multi level methods, Math. Programming, 39, 57–78, 1984b.
    • (1984) Math. Programming , vol.39 , pp. 57-78
    • Rinnooy Kan, A.H.G.1    Timmer, G.T.2
  • 119
    • 85055161603 scopus 로고
    • Simulation, Regression and Control of Chemical Reactors by Collocation Techniques, doctoral thesis
    • Sørensen, J.P., Simulation, Regression and Control of Chemical Reactors by Collocation Techniques, doctoral thesis, Danmarks tekniske Højskole, Lyngby, 1982.
    • (1982) Danmarks Tekniske Højskole, Lyngby
    • Sørensen, J.P.1
  • 123
    • 0026864325 scopus 로고
    • Parameter estimation from multire-sponse data
    • Stewart, W.E., Caracotsios, M., and Sørensen, J.P., Parameter estimation from multire-sponse data, AIChE J., 38(5), 641, 1992b.
    • (1992) Aiche J , vol.38 , Issue.5 , pp. 641
    • Stewart, W.E.1    Caracotsios, M.2    Sørensen, J.P.3
  • 125
    • 85055190224 scopus 로고    scopus 로고
    • Characterization and Property Prediction of Petroleum Mixtures, paper presented at the AIChE Spring Meeting
    • Zhang, Y. and Towler, G.P., Characterization and Property Prediction of Petroleum Mixtures, paper presented at the AIChE Spring Meeting, Houston, 1999.
    • (1999) Houston
    • Zhang, Y.1    Towler, G.P.2
  • 126
    • 84933511596 scopus 로고
    • Standard chemical thermodynamic properties of alkane isomer groups
    • Alberty, R.A. and Gehrig, C.A., Standard chemical thermodynamic properties of alkane isomer groups, J. Phys. Chem. Ref. Data, 13(4), 1173–1197, 1984a.
    • (1984) J. Phys. Chem. Ref. Data , vol.13 , Issue.4 , pp. 1173-1197
    • Alberty, R.A.1    Gehrig, C.A.2
  • 127
    • 0004433358 scopus 로고
    • Standard chemical thermodynamic properties of alkylcyclo-pentane isomer groups, alkylcyclohexane isomer groups, and combined isomer groups
    • Alberty, R.A. and Ha, Y.S., Standard chemical thermodynamic properties of alkylcyclo-pentane isomer groups, alkylcyclohexane isomer groups, and combined isomer groups, J. Phys. Chem. Ref. Data, 14(4), 1107–1132, 1984b.
    • (1984) J. Phys. Chem. Ref. Data , vol.14 , Issue.4 , pp. 1107-1132
    • Alberty, R.A.1    Ha, Y.S.2
  • 128
    • 25744460227 scopus 로고
    • Standard chemical thermodynamic properties of alkylbenzene isomer groups
    • Alberty, R.A., Standard chemical thermodynamic properties of alkylbenzene isomer groups, J. Phys. Chem. Ref. Data, 14(1), 177–192, 1984c.
    • (1984) J. Phys. Chem. Ref. Data , vol.14 , Issue.1 , pp. 177-192
    • Alberty, R.A.1
  • 129
    • 0006131180 scopus 로고
    • Standard chemical thermodynamic properties of alkene isomer groups
    • Alberty, R.A., Standard chemical thermodynamic properties of alkene isomer groups, J. Phys. Chem. Ref. Data, 14(3), 803–820, 1984d.
    • (1984) J. Phys. Chem. Ref. Data , vol.14 , Issue.3 , pp. 803-820
    • Alberty, R.A.1
  • 131
    • 0000120311 scopus 로고
    • Mechanisms of methylcyclopen-tane ring-opening over platinum-alumina catalyots
    • Brandenberger, S.G., Callender, W.L., Meerboot, W.K., Mechanisms of methylcyclopen-tane ring-opening over platinum-alumina catalyots, J Catal., 42(2), 282–287, 1976.
    • (1976) J Catal , vol.42 , Issue.2 , pp. 282-287
    • Brandenberger, S.G.1    Callender, W.L.2    Meerboot, W.K.3
  • 134
    • 0012877833 scopus 로고
    • Mechanisms of skeletal isomerization of hydrocarbons on metals
    • Gault, F.G., Mechanisms of skeletal isomerization of hydrocarbons on metals, Adv., Catal., 30, 1–95, 1981.
    • (1981) Adv., Catal. , vol.30 , pp. 1-95
    • Gault, F.G.1
  • 136
    • 0001428948 scopus 로고    scopus 로고
    • Automated Kinetic modeling of catalytic reforming at the reaction pathways level
    • Joshi, P.V., Klein, M. T., Huebner, A.L., Leycrle, R.W., Automated Kinetic modeling of catalytic reforming at the reaction pathways level, Rev. Process Chem. Engin., 2, (3), 169–193 (1999).
    • (1999) Rev. Process Chem. Engin. , vol.2 , Issue.3 , pp. 169-193
    • Joshi, P.V.1    Klein, M.T.2    Huebner, A.L.3    Leycrle, R.W.4
  • 138
    • 0019900204 scopus 로고
    • Reforming of C6 hydrocarbons on a Pt-Al2O3 catalyst
    • Marin, G.B. and Froment, G.F., Reforming of C6 hydrocarbons on a Pt-Al2O3 catalyst, Chem. Eng. Sci., 37(5), 759–773, 1982.
    • (1982) Chem. Eng. Sci. , vol.37 , Issue.5 , pp. 759-773
    • Marin, G.B.1    Froment, G.F.2
  • 140
    • 77956837258 scopus 로고
    • KINPTR (Mobil’s kinetic reforming model): A review of Mobil’s industrial process modeling philosophy
    • Ramage, M.P., Graziani, K.R., Schipper, P.H., Krambeck, F.J., and Choi, B.C., KINPTR (Mobil’s kinetic reforming model): a review of Mobil’s industrial process modeling philosophy, Adv. Chem. Eng., 13, 193, 1987.
    • (1987) Adv. Chem. Eng. , vol.13 , pp. 193
    • Ramage, M.P.1    Graziani, K.R.2    Schipper, P.H.3    Krambeck, F.J.4    Choi, B.C.5
  • 141
    • 85055211346 scopus 로고
    • Dehydrogenation of Monocyclic Naphthenes Over a Platinum on Alumina Catalyst Without Added Hydrogen
    • Ritchie, A.W. and Nixon, A.C., Dehydrogenation of Monocyclic Naphthenes Over a Platinum on Alumina Catalyst Without Added Hydrogen, Div. of Petro. Chem. Preprint, ACS, New York, Sept 11–16, 1966.
    • (1966) Div. of Petro. Chem. Preprint, ACS, New York, Sept , pp. 11-16
    • Ritchie, A.W.1    Nixon, A.C.2
  • 142
    • 0024017199 scopus 로고
    • Mechanism of dehydrocyclization of n-alkanes over platinum-alumina catalyst
    • Sivasanker, S. and Padalkar, S.R., Mechanism of dehydrocyclization of n-alkanes over platinum-alumina catalyst, Appl. Catal., 39, 123–126, 1988.
    • (1988) Appl. Catal. , vol.39 , pp. 123-126
    • Sivasanker, S.1    Padalkar, S.R.2
  • 143
    • 0026864325 scopus 로고
    • Parameter estimation from multire-sponse data
    • Stewart, W.E., Caracotsios, M., and Sorensen, J.P., Parameter estimation from multire-sponse data, AIChE Journal, 38(5), 641–650, 1992.
    • (1992) Aiche Journal , vol.38 , Issue.5 , pp. 641-650
    • Stewart, W.E.1    Caracotsios, M.2    Sorensen, J.P.3
  • 145
    • 0023866087 scopus 로고
    • Reforming of C7 hydrocarbons on a sulfided commercial Pt /Al2O3 catalyst
    • Van Trimpont, P.A., Marin G.B., and Froment, G.F., Reforming of C7 hydrocarbons on a sulfided commercial Pt /Al2O3 catalyst, Ind. Eng. Chem. Res., 27, 51–57, 1988.
    • (1988) Ind. Eng. Chem. Res. , vol.27 , pp. 51-57
    • van Trimpont, P.A.1    Marin, G.B.2    Froment, G.F.3
  • 146
    • 0028410110 scopus 로고
    • Computer generated pyrolysis modeling: On-the-fly generation of species, reactions and rates
    • Broadbelt, L.J., Stark, S.M., and Klein, M.T., Computer generated pyrolysis modeling: on-the-fly generation of species, reactions and rates, Ind. Eng. Chem. Res., 33, 790–799, 1994a.
    • (1994) Ind. Eng. Chem. Res. , vol.33 , pp. 790-799
    • Broadbelt, L.J.1    Stark, S.M.2    Klein, M.T.3
  • 147
    • 0028727474 scopus 로고
    • Computer generated reaction networks: On-the-fly calculation of species properties using computational quantum chemistry
    • Broadbelt, L.J., Stark, S.M., and Klein, M.T., Computer generated reaction networks: on-the-fly calculation of species properties using computational quantum chemistry, Chem. Eng. Sci., 49, 4991–5101, 1994b.
    • (1994) Chem. Eng. Sci. , vol.49 , pp. 4991-5101
    • Broadbelt, L.J.1    Stark, S.M.2    Klein, M.T.3
  • 148
    • 0030086839 scopus 로고    scopus 로고
    • Computer generated reaction modeling: Decomposition and encoding algorithms for determining species uniqueness
    • Broadbelt, L.J., Stark, S.M., and Klein, M.T., Computer generated reaction modeling: decomposition and encoding algorithms for determining species uniqueness, Comput. Chem. Eng., 20, 2, 113–129, 1996.
    • (1996) Comput. Chem. Eng. , vol.20 , Issue.2 , pp. 113-129
    • Broadbelt, L.J.1    Stark, S.M.2    Klein, M.T.3
  • 149
    • 0025387847 scopus 로고
    • The Delplot technique: A new method for reaction pathway analysis
    • Bhore, N.A., Klein, M.T., and Bischoff, K.B., The Delplot technique: a new method for reaction pathway analysis, Ind. Eng. Chem. Res., 29, 313–316, 1990.
    • (1990) Ind. Eng. Chem. Res. , vol.29 , pp. 313-316
    • Bhore, N.A.1    Klein, M.T.2    Bischoff, K.B.3
  • 150
    • 84983721866 scopus 로고
    • Electrophilic Dubstitutions at aukenes and in alkylcar-bonium ions
    • Brouwer, D.M. and Hogeveen, H., Electrophilic Dubstitutions at aukenes and in alkylcar-bonium ions, Prog. Phys. Org Chem., 9, 179, 1972.
    • (1972) Prog. Phys. Org Chem. , vol.9 , pp. 179
    • Brouwer, D.M.1    Hogeveen, H.2
  • 151
    • 33947548806 scopus 로고
    • Mechanism of hydrocracking reactions of paraffins and olefins
    • Coonradt, H.L. and Garwood, W.E., Mechanism of hydrocracking reactions of paraffins and olefins, I. & E. C. Proc. Des. Dev., 3, 38, 1964.
    • (1964) I. & E. C. Proc. Des. Dev. , vol.3 , pp. 38
    • Coonradt, H.L.1    Garwood, W.E.2
  • 157
    • 0022522276 scopus 로고
    • Attempts to rationalize the distribution of hydrocracked products: 1. Quantitative description of the primary hydrocracking modes of long chain paraffins in open zeolites
    • Martens, J.A., Jacobs, P.A., and Weitcamp, J., attempts to rationalize the distribution of hydrocracked products: 1. Quantitative description of the primary hydrocracking modes of long chain paraffins in open zeolites, Appl. Catal., 20, 239, 1986.
    • (1986) Appl. Catal. , vol.20 , pp. 239
    • Martens, J.A.1    Jacobs, P.A.2    Weitcamp, J.3
  • 158
    • 0000132391 scopus 로고
    • Naphtha reforming involves dual functional catalysts mechanism for reforming with these catalysts
    • Mills, G.A., Heinemann, H., Milliken, T.H., and Oblad, A.G., Naphtha reforming involves dual functional catalysts mechanism for reforming with these catalysts, Ind. Eng. Chem., 45, 134, 1953.
    • (1953) Ind. Eng. Chem. , vol.45 , pp. 134
    • Mills, G.A.1    Heinemann, H.2    Milliken, T.H.3    Oblad, A.G.4
  • 159
    • 0000966658 scopus 로고
    • Linear free energy relationships in heterogeneous catalysis. I. Dealkylation of alkylbenzenes on cracking catalysts
    • Mochida, I. and Yoneda, Y., Linear free energy relationships in heterogeneous catalysis. I. Dealkylation of alkylbenzenes on cracking catalysts, J. Catal., 7, 386–392, 1967a.
    • (1967) J. Catal. , vol.7 , pp. 386-392
    • Mochida, I.1    Yoneda, Y.2
  • 160
    • 0000966661 scopus 로고
    • Linear free energy relationships in heterogeneous catalysis. II. Dealkylation and isomerization reactions on various solid acid catalysts
    • Mochida, I. and Yoneda, Y., Linear free energy relationships in heterogeneous catalysis. II. Dealkylation and isomerization reactions on various solid acid catalysts, J. Catal., 7, 393–396, 1967b.
    • (1967) J. Catal. , vol.7 , pp. 393-396
    • Mochida, I.1    Yoneda, Y.2
  • 161
    • 0000966659 scopus 로고
    • Linear free energy relationships in heterogeneous catalysis. III. Temperature effects in dealkylation of alkylbenzenes on the cracking catalysts
    • Mochida, I. and Yoneda, Y., Linear free energy relationships in heterogeneous catalysis. III. Temperature effects in dealkylation of alkylbenzenes on the cracking catalysts, J. Catal., 7, 223–230, 1967c.
    • (1967) J. Catal. , vol.7 , pp. 223-230
    • Mochida, I.1    Yoneda, Y.2
  • 165
    • 0003716563 scopus 로고    scopus 로고
    • Semi-emprical molecular orbital methods
    • Lipkowitz, K.B., Boyd, D.D., eds., New York, VCH Publishers, 1
    • Stewart, J. J.P., Semi-emprical molecular orbital methods; In: Review of Computational chemisty, Lipkowitz, K.B., Boyd, D.D., eds., New York, VCH Publishers, 1990.
    • Review of Computational Chemisty
    • Stewart, J.J.P.1
  • 166
    • 0026864325 scopus 로고
    • Parameter estimation from multi-response data
    • Stewart, W.E., Caracotsios, M., and Sorensen, J.P., Parameter estimation from multi-response data, AIChE J., 38(5), 641–650, 1992.
    • (1992) Aiche J. , vol.38 , Issue.5 , pp. 641-650
    • Stewart, W.E.1    Caracotsios, M.2    Sorensen, J.P.3
  • 167
    • 0030150472 scopus 로고    scopus 로고
    • Mechanistic modeling of n-heptane cracking on HZSM-5
    • Watson, B.A., Klein, M.T., and Harding, R.H., Mechanistic modeling of n-heptane cracking on HZSM-5, Ind. Eng. Chem. Res., 35(5), 1506–1516, 1996.
    • (1996) Ind. Eng. Chem. Res. , vol.35 , Issue.5 , pp. 1506-1516
    • Watson, B.A.1    Klein, M.T.2    Harding, R.H.3
  • 168
    • 0031185556 scopus 로고    scopus 로고
    • Catalytic cracking of alkylcyclohexanes: Modeling the reaction pathways and mechanisms
    • Watson, B.A., Klein, M.T., and Harding, R.H., Catalytic cracking of alkylcyclohexanes: modeling the reaction pathways and mechanisms, Int. J. Chem. Kinet., 29(7), 545, 1997.
    • (1997) Int. J. Chem. Kinet. , vol.29 , Issue.7 , pp. 545
    • Watson, B.A.1    Klein, M.T.2    Harding, R.H.3
  • 169
    • 54849436026 scopus 로고
    • Polyfunctional heterogeneous catalysis
    • Weisz, P.B., Polyfunctional heterogeneous catalysis, Adv. Catal., 13, 137, 1962.
    • (1962) Adv. Catal. , vol.13 , pp. 137
    • Weisz, P.B.1
  • 170
  • 172
    • 0026219665 scopus 로고
    • Reactivities, reaction networks, and kinetic in high pressure catalytic hydroprocessing
    • Girgis, M.J. and Gates, B.C., Reactivities, reaction networks, and kinetic in high pressure catalytic hydroprocessing, Ind. Eng. Chem. Res., 30, 2021, 1991.
    • (1991) Ind. Eng. Chem. Res. , vol.30 , pp. 2021
    • Girgis, M.J.1    Gates, B.C.2
  • 175
    • 0028375032 scopus 로고
    • Hydrodesulfurization reactivities of various sulfur compounds in diesel fuel
    • Ma, X., Sakanishi, K., and Mochida, I., Hydrodesulfurization reactivities of various sulfur compounds in diesel fuel, Ind. Eng. Chem. Res., 33, 218–222, 1994.
    • (1994) Ind. Eng. Chem. Res. , vol.33 , pp. 218-222
    • Ma, X.1    Sakanishi, K.2    Mochida, I.3
  • 176
    • 0000966658 scopus 로고
    • Linear free energy relationships in heterogeneous catalysis I. Dealkylation of alkylbenzenes on cracking catalysts
    • Mochida, I., and Yoneda, Y., Linear free energy relationships in heterogeneous catalysis I. Dealkylation of alkylbenzenes on cracking catalysts., J. Catal., 7, 386–392, 1967a.
    • (1967) J. Catal. , vol.7 , pp. 386-392
    • Mochida, I.1    Yoneda, Y.2
  • 177
    • 0000966661 scopus 로고
    • Linear free energy relationships in heterogeneous catalysis. II. Dealkylation and isomerization reactions on various solid acid catalysts
    • Mochida, I., and Yoneda, Y., Linear free energy relationships in heterogeneous catalysis. II. Dealkylation and isomerization reactions on various solid acid catalysts, J. Catal., 7, 393–396, 1967b.
    • (1967) J. Catal. , vol.7 , pp. 393-396
    • Mochida, I.1    Yoneda, Y.2
  • 178
    • 0000966659 scopus 로고
    • Linear free energy relationships in heterogeneous catalysis. III. Temperature effects in dealkylation of alkylbenzenes on the cracking catalysts
    • Mochida, I., and Yoneda, Y., Linear free energy relationships in heterogeneous catalysis. III. Temperature effects in dealkylation of alkylbenzenes on the cracking catalysts, J. Catal., 8, 223–230, 1967c.
    • (1967) J. Catal. , vol.8 , pp. 223-230
    • Mochida, I.1    Yoneda, Y.2
  • 180
    • 0026864325 scopus 로고
    • Parameter Estimation from Multire-sponse Data
    • Strewart, W.E., Caracotsios, M., and Sørensen, J.P., Parameter Estimation from Multire-sponse Data, AlChE J., 38(5), 641 1992.
    • (1992) Alche J , vol.38 , Issue.5 , pp. 641
    • Strewart, W.E.1    Caracotsios, M.2    Sørensen, J.P.3
  • 181
    • 0004054840 scopus 로고    scopus 로고
    • Hydrotreating catalysis
    • Anderson, J.R. and Boudart, M., Eds., Springer-Verlag, New York, 199
    • Topsøe, H., Clausen, B.S., and Massoth, F.E., Hydrotreating catalysis, in Catalysis Science and Technology, Vol. 11, Anderson, J.R. and Boudart, M., Eds., Springer-Verlag, New York, 1996.
    • Catalysis Science and Technology , vol.11
    • Topsøe, H.1    Clausen, B.S.2    Massoth, F.E.3
  • 183
    • 0030150472 scopus 로고    scopus 로고
    • Mechanistic modeling of n-heptane cracking on HZSM-5
    • Watson, B. A., Klein, M. T., and Harding, R. H., Mechanistic modeling of n-heptane cracking on HZSM-5, Ind. Eng. Chem. Res., 35(5), 1506–1516, 1996.
    • (1996) Ind. Eng. Chem. Res. , vol.35 , Issue.5 , pp. 1506-1516
    • Watson, B.A.1    Klein, M.T.2    Harding, R.H.3
  • 184
    • 0031185556 scopus 로고    scopus 로고
    • Catalytic cracking of alkylcyclohexanes: Modeling the reaction pathways and mechanisms
    • Watson, B. A., Klein M. T., and Harding, R. H., Catalytic cracking of alkylcyclohexanes: modeling the reaction pathways and mechanisms, Intern. J. Chem. Kinetics, 29(7), 545, 1997.
    • (1997) Intern. J. Chem. Kinetics , vol.29 , Issue.7 , pp. 545
    • Watson, B.A.1    Klein, M.T.2    Harding, R.H.3
  • 185
    • 0344326766 scopus 로고    scopus 로고
    • Present state of the art and future challenges in the hydrodesulfurization of polyaromatic sulfur compounds
    • Whitehurst, D.D., Isoda, T., and Mochida, I., Present state of the art and future challenges in the hydrodesulfurization of polyaromatic sulfur compounds, Adv. Catal., 42, 345, 1998.
    • (1998) Adv. Catal. , vol.42 , pp. 345
    • Whitehurst, D.D.1    Isoda, T.2    Mochida, I.3
  • 186
    • 24044442480 scopus 로고
    • Reactions of cyclopropane on nickel and nickel-copper alloys
    • Beelen, J.M., Ponec, V., and Sachtler, W.M.H., Reactions of cyclopropane on nickel and nickel-copper alloys, J. Catal., 28(3), 376, 1973.
    • (1973) J. Catal. , vol.28 , Issue.3 , pp. 376
    • Beelen, J.M.1    Ponec, V.2    Sachtler, W.M.H.3
  • 187
    • 0028410110 scopus 로고
    • Computer generated pyrolysis modeling: On-the-fly generation of species, reactions, and rates
    • Broadbelt, L.J., Stark, S.M., and Klein, M.T., Computer generated pyrolysis modeling: on-the-fly generation of species, reactions, and rates, I. & E. C. Res., 33(4), 790–799, 1994a.
    • (1994) I. & E. C. Res. , vol.33 , Issue.4 , pp. 790-799
    • Broadbelt, L.J.1    Stark, S.M.2    Klein, M.T.3
  • 188
    • 0028727474 scopus 로고
    • Computer generated reaction networks: On-the-fly calculation of species properties using computational quantum chemistry
    • Broadbelt, L.J., Stark, S.M., and Klein, M.T., Computer generated reaction networks: on-the-fly calculation of species properties using computational quantum chemistry, Chem. Eng. Sci., 49, 4991–5101, 1994b.
    • (1994) Chem. Eng. Sci. , vol.49 , pp. 4991-5101
    • Broadbelt, L.J.1    Stark, S.M.2    Klein, M.T.3
  • 189
    • 0030086839 scopus 로고    scopus 로고
    • Computer generated reaction modeling: Decomposition and encoding algorithms for determining species uniqueness
    • Broadbelt, L.J., Stark, S.M., and Klein, M.T., Computer generated reaction modeling: decomposition and encoding algorithms for determining species uniqueness, Comput. Chem. Eng., 20(2), 113–129, 1996.
    • (1996) Comput. Chem. Eng. , vol.20 , Issue.2 , pp. 113-129
    • Broadbelt, L.J.1    Stark, S.M.2    Klein, M.T.3
  • 190
    • 0002915783 scopus 로고    scopus 로고
    • Construction of a molecular representation of a complex feedstock by Monte Carlo and quadrature methods
    • Campbell, D.M. and Klein, M.T., Construction of a molecular representation of a complex feedstock by Monte Carlo and quadrature methods, Appl. Catal. AGEN, 160, 41–54, 1997.
    • (1997) Appl. Catal. AGEN , vol.160 , pp. 41-54
    • Campbell, D.M.1    Klein, M.T.2
  • 191
    • 33947548806 scopus 로고
    • Mechanism of hydrocracking reactions of paraffins and olefins
    • Coonradt, H.L. and Garwood, W.E., Mechanism of hydrocracking reactions of paraffins and olefins, I. & E. C. Proc. Des. Dev., 3, 38, 1964.
    • (1964) I. & E. C. Proc. Des. Dev. , vol.3 , Issue.38
    • Coonradt, H.L.1    Garwood, W.E.2
  • 193
    • 0026219665 scopus 로고
    • Reactivities, reaction networks, and kinetics in high-pressure catalytic hydroprocessing
    • Girgis, M.J. and Gates, B.C., Reactivities, reaction networks, and kinetics in high-pressure catalytic hydroprocessing, Ind. Eng. Chem. Res., 30(9), 2021–2058, 1991.
    • (1991) Ind. Eng. Chem. Res. , vol.30 , Issue.9 , pp. 2021-2058
    • Girgis, M.J.1    Gates, B.C.2
  • 194
    • 0020782772 scopus 로고
    • Hydrocracking polycyclic hydrocarbons over a dual-functional zeolite (Faujacite)-based catalyst
    • Haynes, H.W.J., Parcher, J.F., and Helmer, N.E., Hydrocracking polycyclic hydrocarbons over a dual-functional zeolite (faujacite)-based catalyst, Ind. Eng. Chem. Process Des. Dev., 22, 401–409, 1983.
    • (1983) Ind. Eng. Chem. Process Des. Dev. , vol.22 , pp. 401-409
    • Haynes, H.W.J.1    Parcher, J.F.2    Helmer, N.E.3
  • 196
    • 77955603663 scopus 로고
    • Hydrogenation of phenanthrene over a commercial cobalt molybdenum sulfide catalyst under severe reaction conditions
    • Academic Press, New York
    • Huang, C.-S., Wang, K.-C., and Haynes, H.W.J., Hydrogenation of phenanthrene over a commercial cobalt molybdenum sulfide catalyst under severe reaction conditions, In Liquid Fuels from Coal, Academic Press, New York, 1977, pp. 63–78.
    • (1977) Liquid Fuels from Coal , pp. 63-78
    • Huang, C.-S.1    Wang, K.-C.2    Haynes, H.W.J.3
  • 197
    • 0013292253 scopus 로고    scopus 로고
    • Automated Kinetic modeling of gas oil catalytic cracking
    • Joshi, P.V., Iyer, S.D., Klein, M.T., automated Kinetic modeling of gas oil catalytic cracking, Rev. Process Chem. Engin., 1, 111–140, 1998.
    • (1998) Rev. Process Chem. Engin. , vol.1 , pp. 111-140
    • Joshi, P.V.1    Iyer, S.D.2    Klein, M.T.3
  • 203
    • 0023348580 scopus 로고
    • Catalytic hydrogenation and hydrocracking of fluoranthene: Reaction pathways and kinetics
    • Lapinas, A.T., Klein, M.T., Gates, B.C., Macris, A., and Lyons, J.E., Catalytic hydrogenation and hydrocracking of fluoranthene: reaction pathways and kinetics, Ind. Eng. Chem. Res., 26, 1026–1033, 1987.
    • (1987) Ind. Eng. Chem. Res. , vol.26 , pp. 1026-1033
    • Lapinas, A.T.1    Klein, M.T.2    Gates, B.C.3    Macris, A.4    Lyons, J.E.5
  • 204
    • 0025894476 scopus 로고
    • Catalytic hydrogenation and hydrocracking of fluorene: Reaction pathways, kinetics and mechanisms
    • Lapinas, A.T., Klein, M.T., Gates, B.C., Macris, A., and Lyons, J.E., Catalytic hydrogenation and hydrocracking of fluorene: reaction pathways, kinetics and mechanisms, Ind. Eng. Chem Res., 30, 42–50, 1991.
    • (1991) Ind. Eng. Chem Res. , vol.30 , pp. 42-50
    • Lapinas, A.T.1    Klein, M.T.2    Gates, B.C.3    Macris, A.4    Lyons, J.E.5
  • 205
    • 0030241937 scopus 로고    scopus 로고
    • Continuous lumping model for simulation of hydrocracking
    • Laxminarasimhan, C.S., Verma, R.P., and Ramachandran, P.A., Continuous lumping model for simulation of hydrocracking, AIChE J., 42(9), 2645–2653, 1996.
    • (1996) Aiche J , vol.42 , Issue.9 , pp. 2645-2653
    • Laxminarasimhan, C.S.1    Verma, R.P.2    Ramachandran, P.A.3
  • 206
    • 0021577330 scopus 로고
    • Phenanthrene hydroconversion as a potential test reaction for the hydrogenating and cracking properties of coal hydroliquefaction catalysts
    • Lemberton, J.-L. and Guisnet, M., Phenanthrene hydroconversion as a potential test reaction for the hydrogenating and cracking properties of coal hydroliquefaction catalysts, Appl. Catal., 13, 181–192, 1984.
    • (1984) Appl. Catal. , vol.13 , pp. 181-192
    • Lemberton, J.-L.1    Guisnet, M.2
  • 207
    • 10044232299 scopus 로고
    • Hydroisomerization and Hydrocracking of Cyclohexane in the Presence of a Paladium-Hydrogen-Faujasite Catalyst
    • Lazzaraga, M.G. and Voorhies, A., Jr., Hydroisomerization and Hydrocracking of Cyclohexane in the Presence of a Paladium-Hydrogen-Faujasite Catalyst, Ind. Eng. Chem. Prod. Res. Dev., 12, 194, 1973.
    • (1973) Ind. Eng. Chem. Prod. Res. Dev. , vol.12 , pp. 194
    • Lazzaraga, M.G.1    Voorhies, A.2
  • 209
    • 0000966658 scopus 로고
    • Linear free energy relationships in heterogeneous catalysis. I. Dealkylation of alkylbenzenes on cracking catalysts
    • Mochida, I. and Yoneda, Y., Linear free energy relationships in heterogeneous catalysis. I. Dealkylation of alkylbenzenes on cracking catalysts, J. Catal., 7, 386–392, 1967.
    • (1967) J. Catal. , vol.7 , pp. 386-392
    • Mochida, I.1    Yoneda, Y.2
  • 210
    • 0000601084 scopus 로고    scopus 로고
    • Kinetic study of the hydrodenitrogenation of pyridine and piperidine on a NiMo catalyst
    • Oil Fractions, Groment, G., Delmon, B., and Grange, P., Eds., Elsevier, Amsterdam
    • Pille, R. and Froment, G., Kinetic study of the hydrodenitrogenation of pyridine and piperidine on a NiMo catalyst, In Hydrotreatment and Hydrocracking of Oil Fractions, Groment, G., Delmon, B., and Grange, P., Eds., Elsevier, Amsterdam, 1997, pp. 403–413.
    • (1997) Hydrotreatment and Hydrocracking Of , pp. 403-413
    • Pille, R.1    Froment, G.2
  • 211
    • 0015640326 scopus 로고
    • Hydrocracking of polynuclear aromatic hydrocarbons over silica-alumina based dual functional catalysts
    • Qader, S.A., Hydrocracking of polynuclear aromatic hydrocarbons over silica-alumina based dual functional catalysts, J. Inst. Pet., 59, 178–187, 1973.
    • (1973) J. Inst. Pet. , vol.59 , pp. 178-187
    • Qader, S.A.1
  • 213
    • 0015250425 scopus 로고
    • Development of catalysts for the hydrocracking of polynuclear aromatic hydrocarbons
    • Qader, S.A. and Hill, G.R., Development of catalysts for the hydrocracking of polynuclear aromatic hydrocarbons, Am. Chem. Soc. Div. Fuel Chem. Prepr., 16, 93–106, 1972.
    • (1972) Am. Chem. Soc. Div. Fuel Chem. Prepr. , vol.16 , pp. 93-106
    • Qader, S.A.1    Hill, G.R.2
  • 216
    • 0021511603 scopus 로고
    • Peculiarities in the conversion of naphthenes on bifunctional catalysts
    • Weitkamp, J., Ernst, S., and Karge, H.G., Peculiarities in the conversion of naphthenes on bifunctional catalysts, Erdoel Kohle-Erdgas-Petreochem., 37(10), 457, 1984.
    • (1984) Erdoel Kohle-Erdgas-Petreochem , vol.37 , Issue.10 , pp. 457
    • Weitkamp, J.1    Ernst, S.2    Karge, H.G.3
  • 220
    • 0342385393 scopus 로고
    • Linear free energy relationships in modeling heterogeneous catalytic reactions
    • Dunn, I.J., Linear free energy relationships in modeling heterogeneous catalytic reactions, J. Catal., 12, 335–340, 1968.
    • (1968) J. Catal. , vol.12 , pp. 335-340
    • Dunn, I.J.1
  • 221
    • 0000710737 scopus 로고
    • Kinetic data and product distributions from fixed bed catalytic reactors subject to catalyst fouling
    • Froment, G.E. and Bischoff, K.B., Kinetic data and product distributions from fixed bed catalytic reactors subject to catalyst fouling, Chem. Eng. Sci., 17, 105–114, 1962.
    • (1962) Chem. Eng. Sci. , vol.17 , pp. 105-114
    • Froment, G.E.1    Bischoff, K.B.2
  • 222
    • 0016980819 scopus 로고
    • A lumping and reaction scheme for catalytic cracking
    • Jacob, S.M., Gross, B., Volts, S.E., and Weekman, V.W., A lumping and reaction scheme for catalytic cracking, AIChE J., 22, 701–713, 1976.
    • (1976) Aiche J. , vol.22 , pp. 701-713
    • Jacob, S.M.1    Gross, B.2    Volts, S.E.3    Weekman, V.W.4
  • 223
    • 49549146245 scopus 로고
    • On identifying the primary and secondary products of the catalytic cracking of neutral distillates
    • John, T.M. and Wojciechowski, B.W., On identifying the primary and secondary products of the catalytic cracking of neutral distillates, J. Catal., 37, 348, 1975.
    • (1975) J. Catal. , vol.37 , pp. 348
    • John, T.M.1    Wojciechowski, B.W.2
  • 225
    • 0013292253 scopus 로고    scopus 로고
    • Automated Kinetic modeling of gas oil catalytic cracking
    • Joshi, P.V., Iyer, S.D., and Klein, M.T., Automated Kinetic modeling of gas oil catalytic cracking, Rev. Process Chem. Engin., 1, 111–140, 1998.
    • (1998) Rev. Process Chem. Engin. , vol.1 , pp. 111-140
    • Joshi, P.V.1    Iyer, S.D.2    Klein, M.T.3
  • 227
    • 0024681057 scopus 로고
    • Structural models for catalytic cracking. 1. Model compounds reactions
    • Liguras, D.K. and Allen, D.T., Structural models for catalytic cracking. 1. Model compounds reactions, Ind. Eng. Chem. Res., 28(6), 665–673, 1989a.
    • (1989) Ind. Eng. Chem. Res. , vol.28 , Issue.6 , pp. 665-673
    • Liguras, D.K.1    Allen, D.T.2
  • 228
    • 0024683688 scopus 로고
    • Structure models for catalytic cracking. 2. Reactions of simulated oil mixtures
    • Liguras, D.K. and Allen, D.T., Structure models for catalytic cracking. 2. Reactions of simulated oil mixtures, Ind. Eng. Chem. Res., 28(6), 674–683, 1989b.
    • (1989) Ind. Eng. Chem. Res. , vol.28 , Issue.6 , pp. 674-683
    • Liguras, D.K.1    Allen, D.T.2
  • 229
    • 0000966658 scopus 로고
    • Linear free energy relationships in heterogeneous catalysis. I. Dealkylation of alkylbenzenes on cracking catalysts
    • Mochida, I. and Yoneda, Y., Linear free energy relationships in heterogeneous catalysis. I. Dealkylation of alkylbenzenes on cracking catalysts, J. Catal., 7, 386–392, 1967a.
    • (1967) J. Catal. , vol.7 , pp. 386-392
    • Mochida, I.1    Yoneda, Y.2
  • 230
    • 0000966661 scopus 로고
    • Linear free energy relationships in heterogeneous catalysis. II. Dealkylation and isomerization reactions on various solid acid catalysts
    • Mochida, I. and Yoneda, Y., Linear free energy relationships in heterogeneous catalysis. II. Dealkylation and isomerization reactions on various solid acid catalysts, J. Catal., 7, 393–396, 1967b.
    • (1967) J. Catal. , vol.7 , pp. 393-396
    • Mochida, I.1    Yoneda, Y.2
  • 231
    • 0000966659 scopus 로고
    • Linear free energy relationships in heterogeneous catalysis. III. Temperature effects in dealkylation of alkylbenzenes on the cracking catalysts
    • Mochida, I. and Yoneda, Y., Linear free energy relationships in heterogeneous catalysis. III. Temperature effects in dealkylation of alkylbenzenes on the cracking catalysts, J. Catal., 7, 223–230, 1967c.
    • (1967) J. Catal. , vol.7 , pp. 223-230
    • Mochida, I.1    Yoneda, Y.2
  • 232
    • 0001802788 scopus 로고
    • When you can’t measure—model
    • Neurock, M. and Klein, M.T., When you can’t measure—model, CHEMTECH, 23(9), 26–32, 1993.
    • (1993) CHEMTECH , vol.23 , Issue.9 , pp. 26-32
    • Neurock, M.1    Klein, M.T.2
  • 233
    • 0026943945 scopus 로고
    • Structure oriented lumping: Describing the chemistry of complex hydrocarbon mixtures
    • Quann, R.J. and Jaffe, S.B., Structure oriented lumping: describing the chemistry of complex hydrocarbon mixtures, Ind. Eng. Chem. Res., 31(11), 2483–2497, 1992.
    • (1992) Ind. Eng. Chem. Res. , vol.31 , Issue.11 , pp. 2483-2497
    • Quann, R.J.1    Jaffe, S.B.2
  • 234
    • 0030141240 scopus 로고    scopus 로고
    • Building useful models of complex reaction systems in petroleum refining
    • Quann, R.J. and Jaffe, S.B., Building useful models of complex reaction systems in petroleum refining, Chem. Eng. Sci., 51(10), 1615, 1996.
    • (1996) Chem. Eng. Sci. , vol.51 , Issue.10 , pp. 1615
    • Quann, R.J.1    Jaffe, S.B.2
  • 235
    • 0030150472 scopus 로고    scopus 로고
    • Mechanistic modeling of n-heptane cracking on HZSM-5
    • Watson, B.A., Klein, M.T., and Harding, R.H., Mechanistic modeling of n-heptane cracking on HZSM-5, Ind. Eng. Chem. Res., 35(5), 1506–1516, 1996.
    • (1996) Ind. Eng. Chem. Res. , vol.35 , Issue.5 , pp. 1506-1516
    • Watson, B.A.1    Klein, M.T.2    Harding, R.H.3
  • 236
    • 0031185556 scopus 로고    scopus 로고
    • Catalytic cracking of alkylcyclohexanes: Modeling the reaction pathways and mechanisms
    • Watson, B.A., Klein, M.T., and Harding, R.H., Catalytic cracking of alkylcyclohexanes: modeling the reaction pathways and mechanisms, Int. J. Chem. Kinet., 29(7), 545, 1997.
    • (1997) Int. J. Chem. Kinet. , vol.29 , Issue.7 , pp. 545
    • Watson, B.A.1    Klein, M.T.2    Harding, R.H.3
  • 237
    • 0014779897 scopus 로고
    • Kinetics of catalytic cracking selectivity in fixed, moving, and fluid bed reactors
    • Weekman, V.W. and Nace, D.M., Kinetics of catalytic cracking selectivity in fixed, moving, and fluid bed reactors, AIChE J., 16, 397–404, 1970.
    • (1970) Aiche J , vol.16 , pp. 397-404
    • Weekman, V.W.1    Nace, D.M.2
  • 238
    • 0022061072 scopus 로고
    • FCC catalysts containing shape-selective zeolites to boost gasoline octane number and yield
    • Yanik, S.J., Demmel, E.J., Humphries, A.P., and Campagna, R.J., FCC catalysts containing shape-selective zeolites to boost gasoline octane number and yield, Oil Gas J., May 13, 108–116, 1985.
    • (1985) Oil Gas J., May , vol.13 , pp. 108-116
    • Yanik, S.J.1    Demmel, E.J.2    Humphries, A.P.3    Campagna, R.J.4
  • 239
    • 0017521805 scopus 로고
    • Simulation of product distributions from pyrolysis of normal and branched alkane mixtures over a wide range of conversions
    • Arai, Y., Murata, M., Tanaka, S., and Saito, S., Simulation of product distributions from pyrolysis of normal and branched alkane mixtures over a wide range of conversions, J. Chem. Eng. Jpn., 10, 303–307, 1977.
    • (1977) J. Chem. Eng. Jpn. , vol.10 , pp. 303-307
    • Arai, Y.1    Murata, M.2    Tanaka, S.3    Saito, S.4
  • 240
    • 84914402432 scopus 로고
    • Refining petroleum for chemicals
    • American Chemical Society, Washington, DC
    • Benson, S.W., Refining petroleum for chemicals, In Advances in Chemistry Series, No. 97, Chapter 1, American Chemical Society, Washington, DC, 1970.
    • (1970) Advances in Chemistry Series, No. 97, Chapter 1
    • Benson, S.W.1
  • 241
    • 1542601078 scopus 로고
    • The thermochemistry and kinetics of gas phase reactions
    • Academic Press, New York
    • Benson, S.W., The thermochemistry and kinetics of gas phase reactions, In Frontiers of Free Radical Chemistry, Academic Press, New York, 1980.
    • (1980) Frontiers of Free Radical Chemistry
    • Benson, S.W.1
  • 242
    • 0028410110 scopus 로고
    • Computer generated pyrolysis modeling: On-the-fly generation of species, reactions and rates
    • Broadbelt, L.J., Stark, S.M., Klein, M.T., Computer generated pyrolysis modeling: on-the-fly generation of species, reactions and rates, Ind. Eng. Res. Chem., 33, 790–799, 1994.
    • (1994) Ind. Eng. Res. Chem. , vol.33 , pp. 790-799
    • Broadbelt, L.J.1    Stark, S.M.2    Klein, M.T.3
  • 243
    • 0002915783 scopus 로고    scopus 로고
    • Construction of a molecular representation of a complex feedstock by Monte-Carlo and quadrature methods
    • Campbell, D.M. and Klein, M.T., Construction of a molecular representation of a complex feedstock by Monte-Carlo and quadrature methods, Appl. Catal., AGEN 160, 41–54, 1997.
    • (1997) Appl. Catal., AGEN , vol.160 , pp. 41-54
    • Campbell, D.M.1    Klein, M.T.2
  • 244
    • 85055153995 scopus 로고
    • Thermal Hydrocarbon Chemistry, Product Inhibition in the Pyrolysis of Paraffinic Hydrocarbons Oblad, A.G., Davis, H.G., and Eddinger, R.T., Eds., Washington, DC
    • Davis, H.G. and Williamson, K.D., In Thermal Hydrocarbon Chemistry, Product Inhibition in the Pyrolysis of Paraffinic Hydrocarbons Oblad, A.G., Davis, H.G., and Eddinger, R.T., Eds., Advances in Chemistry Series, No. 183, Chapter 4, Am. Chem. Soc., 4l-66, Washington, DC, 1979.
    • (1979) Advances in Chemistry Series, No. 183, Chapter 4, Am. Chem. Soc., 4L-66
    • Davis, H.G.1    Williamson, K.D.2
  • 245
    • 0003081027 scopus 로고    scopus 로고
    • Mathematical modeling of pyrolysis reactions
    • Albright, L.F., Crynes, B.L., and Corcoran, W.H., Eds., Academic Press, New York, 1983
    • Dente, M.E. and Ranzi, E.M., Mathematical modeling of pyrolysis reactions, In Pyrolysis: Theory and Industrial Practice, Albright, L.F., Crynes, B.L., and Corcoran, W.H., Eds., Academic Press, New York, 1983.
    • Pyrolysis: Theory and Industrial Practice
    • Dente, M.E.1    Ranzi, E.M.2
  • 246
    • 0018651013 scopus 로고
    • Detailed prediction of olefin yields from hydrocarbon pyrolysis through a fundamental simulation model (SPYRO)
    • Dente, M., Ranzi, E., Goossens, A.G., Detailed prediction of olefin yields from hydrocarbon pyrolysis through a fundamental simulation model (SPYRO), Comput. Chem. Eng., 3, 61–75, 1979.
    • (1979) Comput. Chem. Eng. , vol.3 , pp. 61-75
    • Dente, M.1    Ranzi, E.2    Goossens, A.G.3
  • 247
    • 18844424175 scopus 로고
    • Inertia and driving force of chemical reactions
    • Evans, M.G. and Polanyi, M., Inertia and driving force of chemical reactions. Trans. Faraday. Soc., 34, 11, 1938.
    • (1938) Trans. Faraday. Soc. , vol.34 , pp. 11
    • Evans, M.G.1    Polanyi, M.2
  • 248
    • 0018008067 scopus 로고
    • Improved steam cracker operation
    • Goosens, A.G., Dente, M., and Ranzi, E., Improved steam cracker operation, Hydrocarbon Process., 57(9), 227–236, 1978a.
    • (1978) Hydrocarbon Process. , vol.57 , Issue.9 , pp. 227-236
    • Goosens, A.G.1    Dente, M.2    Ranzi, E.3
  • 249
    • 0347537143 scopus 로고
    • Simulation program predicts olefin-furnace performances
    • Goosens, A.G., Dente, M., and Ranzi, E., Simulation program predicts olefin-furnace performances, Oil Gas J., 76(36), 89–104, 1978b.
    • (1978) Oil Gas J. , vol.76 , Issue.36 , pp. 89-104
    • Goosens, A.G.1    Dente, M.2    Ranzi, E.3
  • 250
    • 0002801544 scopus 로고
    • The effect of structure upon the reactions of organic compounds
    • Hammett, L.P., The effect of structure upon the reactions of organic compounds, J. Am. Chem. Soc., 59, 96–103, 1937.
    • (1937) J. Am. Chem. Soc. , vol.59 , pp. 96-103
    • Hammett, L.P.1
  • 254
    • 0016471509 scopus 로고
    • Simulation model for high-conversion pyrolysis of normal paraffinic hydrocarbons
    • Murata, M. and Saito, S., Simulation model for high-conversion pyrolysis of normal paraffinic hydrocarbons, J. Chem. Eng. Jpn., 8, 39–45, 1975.
    • (1975) J. Chem. Eng. Jpn. , vol.8 , pp. 39-45
    • Murata, M.1    Saito, S.2
  • 255
    • 0026864325 scopus 로고
    • Parameter estimation from multi-response data
    • Stewart, W.E., Caracotsios, M., and Sorenson, J.P., Parameter estimation from multi-response data, AIChE J., 38(5), 641–650, 1992.
    • (1992) Aiche J , vol.38 , Issue.5 , pp. 641-650
    • Stewart, W.E.1    Caracotsios, M.2    Sorenson, J.P.3
  • 256
    • 0017633580 scopus 로고
    • Modeling of thermal cracking kinetics
    • Sundaram, K.M. and Froment, G.F., Modeling of thermal cracking kinetics, Chem. Eng. Sci., 32, 601–608, 1977a.
    • (1977) Chem. Eng. Sci. , vol.32 , pp. 601-608
    • Sundaram, K.M.1    Froment, G.F.2
  • 257
    • 0017634143 scopus 로고
    • Modeling of thermal cracking kinetics-II
    • Sundaram, K.M. and Froment, G.F., Modeling of thermal cracking kinetics-II, Chem. Eng. Sci., 609–617, 1977b.
    • (1977) Chem. Eng. Sci. , pp. 609-617
    • Sundaram, K.M.1    Froment, G.F.2
  • 258
    • 0018005990 scopus 로고
    • Modeling of thermal kinetics. 3. Radical mechanisms for the pyrolysis of simple paraffins, olefins and their mixtures
    • Sundaram, K.M. and Froment, G.F., Modeling of thermal kinetics. 3. Radical mechanisms for the pyrolysis of simple paraffins, olefins and their mixtures, Ind. Eng. Chem. Fundam., 17, 174–182, 1978.
    • (1978) Ind. Eng. Chem. Fundam. , vol.17 , pp. 174-182
    • Sundaram, K.M.1    Froment, G.F.2
  • 259
    • 0016575387 scopus 로고
    • Thermal cracking of propane and propane-propylene mixtures: Pilot plant versus industrial data
    • Van Damme, P.S., Narayanan, S., and Froment, G.F., Thermal cracking of propane and propane-propylene mixtures: pilot plant versus industrial data, AIChE J., 21, 1065–1073, 1975.
    • (1975) Aiche J. , vol.21 , pp. 1065-1073
    • van Damme, P.S.1    Narayanan, S.2    Froment, G.F.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.