메뉴 건너뛰기




Volumn 207-208, Issue , 2012, Pages 94-102

A Monte Carlo modeling methodology for the simulation of hydrotreating processes

Author keywords

Gas oil hydrotreating; Kinetic modeling; Molecular reconstruction; Monte Carlo; Stochastic simulation

Indexed keywords

ACCURATE PREDICTION; HYDROTREATING; HYDROTREATING PROCESS; KINETIC MODELING; KINETIC MONTE CARLO METHODS; LIGHT CYCLE OIL; MONTE CARLO; MONTE CARLO MODELING; RECONSTRUCTION METHOD; STOCHASTIC SIMULATIONS; TWO-STEP PROCEDURE;

EID: 84866883442     PISSN: 13858947     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cej.2012.05.039     Document Type: Article
Times cited : (51)

References (40)
  • 4
    • 29044442456 scopus 로고    scopus 로고
    • Derivation of molecular representations of middle distillates
    • Ha Z., Ring Z., Liu S. Derivation of molecular representations of middle distillates. Energy and Fuels 2005, 19:2378-2393.
    • (2005) Energy and Fuels , vol.19 , pp. 2378-2393
    • Ha, Z.1    Ring, Z.2    Liu, S.3
  • 5
    • 9944257563 scopus 로고    scopus 로고
    • Molecular reconstruction of LCO gas oils from overall petroleum analyses
    • Hudebine D., Verstraete J.J. Molecular reconstruction of LCO gas oils from overall petroleum analyses. Chemical Engineering Science 2004, 59:4755-4763.
    • (2004) Chemical Engineering Science , vol.59 , pp. 4755-4763
    • Hudebine, D.1    Verstraete, J.J.2
  • 8
    • 0032025609 scopus 로고    scopus 로고
    • Computer generation of representative molecules for heavy hydrocarbon mixtures
    • Khorasheh F., Khaledi R., Gray M.R. Computer generation of representative molecules for heavy hydrocarbon mixtures. Fuel 1998, 77:247-253.
    • (1998) Fuel , vol.77 , pp. 247-253
    • Khorasheh, F.1    Khaledi, R.2    Gray, M.R.3
  • 9
    • 0028695029 scopus 로고
    • Molecular representation of complex hydrocarbon feedstocks through efficient characterization and stochastic algorithms
    • Neurock M., Nigam A., Trauth D.M., Klein M.T. Molecular representation of complex hydrocarbon feedstocks through efficient characterization and stochastic algorithms. Chemical Engineering Science 1994, 49:4153-4177.
    • (1994) Chemical Engineering Science , vol.49 , pp. 4153-4177
    • Neurock, M.1    Nigam, A.2    Trauth, D.M.3    Klein, M.T.4
  • 11
    • 78349249757 scopus 로고    scopus 로고
    • Molecular reconstruction of complex hydrocarbon mixtures: an application of principal component analysis
    • Pyl S.P., Van Geem K.M., Reyniers M.-F., Marin G.B. Molecular reconstruction of complex hydrocarbon mixtures: an application of principal component analysis. AIChE Journal 2010, 56:3174-3188.
    • (2010) AIChE Journal , vol.56 , pp. 3174-3188
    • Pyl, S.P.1    Van Geem, K.M.2    Reyniers, M.-F.3    Marin, G.B.4
  • 14
    • 0030141240 scopus 로고    scopus 로고
    • Building useful models of complex reaction systems in petroleum refining
    • Quann R.J., Jaffe S.B. Building useful models of complex reaction systems in petroleum refining. Chemical Engineering Science 1996, 51:1615-1635.
    • (1996) Chemical Engineering Science , vol.51 , pp. 1615-1635
    • Quann, R.J.1    Jaffe, S.B.2
  • 15
    • 0026943945 scopus 로고
    • Structure-oriented lumping: describing the chemistry of complex hydrocarbon mixtures
    • Quann R.J., Jaffe S.B. Structure-oriented lumping: describing the chemistry of complex hydrocarbon mixtures. Industrial and Engineering Chemistry Research 1992, 31:2483-2497.
    • (1992) Industrial and Engineering Chemistry Research , vol.31 , pp. 2483-2497
    • Quann, R.J.1    Jaffe, S.B.2
  • 16
    • 0043153920 scopus 로고
    • Structural models of catalytic cracking chemistry
    • Elsevier, Amsterdam, G. Astarita, S.I. Sandler (Eds.)
    • Allen D.T. Structural models of catalytic cracking chemistry. Kinetic and Thermodynamic Lumping of Multicomponent Mixtures 1991, 163-180. Elsevier, Amsterdam. first ed. G. Astarita, S.I. Sandler (Eds.).
    • (1991) Kinetic and Thermodynamic Lumping of Multicomponent Mixtures , pp. 163-180
    • Allen, D.T.1
  • 19
    • 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., Klein M.T. Representation of the molecular structure of petroleum resid through characterization and Monte Carlo modeling. Energy and Fuels 1994, 8:576-580.
    • (1994) Energy and Fuels , vol.8 , pp. 576-580
    • Trauth, D.M.1    Stark, S.M.2    Petti, T.F.3    Neurock, M.4    Klein, M.T.5
  • 20
    • 0017030517 scopus 로고
    • A general method for numerically simulating the stochastic time evolution of coupled chemical reactions
    • Gillespie D.T. A general method for numerically simulating the stochastic time evolution of coupled chemical reactions. Journal of Computational Physics 1976, 22:403-434.
    • (1976) Journal of Computational Physics , vol.22 , pp. 403-434
    • Gillespie, D.T.1
  • 21
    • 84856043672 scopus 로고
    • A mathematical theory of communication
    • 623-656
    • Shannon C.E. A mathematical theory of communication. The Bell System Technical Journal 1948, 27:379-423. pp. 623-656.
    • (1948) The Bell System Technical Journal , vol.27 , pp. 379-423
    • Shannon, C.E.1
  • 24
    • 77949492130 scopus 로고    scopus 로고
    • In-depth modeling of gas oil hydrotreating: from feedstock reconstruction to reactor stability analysis
    • López-García C., Hudebine D., Schweitzer J.-M., Verstraete J.J., Ferré D. In-depth modeling of gas oil hydrotreating: from feedstock reconstruction to reactor stability analysis. Catalysis Today 2010, 150:279-299.
    • (2010) Catalysis Today , vol.150 , pp. 279-299
    • López-García, C.1    Hudebine, D.2    Schweitzer, J.-M.3    Verstraete, J.J.4    Ferré, D.5
  • 25
    • 0012294306 scopus 로고    scopus 로고
    • Analysis of aromatic sulfur compounds in gas oils using GC with sulfur chemiluminescence detection and high-resolution MS
    • López-García C., Becchi M., Grenier-Loustalot M.F., Païsse O., Szymanski R. Analysis of aromatic sulfur compounds in gas oils using GC with sulfur chemiluminescence detection and high-resolution MS. Analytical Chemistry 2002, 74:3849-3857.
    • (2002) Analytical Chemistry , vol.74 , pp. 3849-3857
    • López-García, C.1    Becchi, M.2    Grenier-Loustalot, M.F.3    Païsse, O.4    Szymanski, R.5
  • 26
    • 59349120225 scopus 로고    scopus 로고
    • Comprehensive two-dimensional gas chromatography for basic and neutral nitrogen speciation in middle distillates
    • Adam F., Bertoncini F., Dartiguelongue C., Marchand K., Thiébaut D., Hennion M.-C. Comprehensive two-dimensional gas chromatography for basic and neutral nitrogen speciation in middle distillates. Fuel 2009, 88:938-946.
    • (2009) Fuel , vol.88 , pp. 938-946
    • Adam, F.1    Bertoncini, F.2    Dartiguelongue, C.3    Marchand, K.4    Thiébaut, D.5    Hennion, M.-C.6
  • 28
    • 0020777040 scopus 로고
    • Analyse des kérosènes et des gas oils moyens par spectrométrie de masse à moyenne résolution
    • Castex H., Boulet R., Juguin J., Lepinasse A. Analyse des kérosènes et des gas oils moyens par spectrométrie de masse à moyenne résolution. Oil and Gas Science and Technology 1983, 38:523-532.
    • (1983) Oil and Gas Science and Technology , vol.38 , pp. 523-532
    • Castex, H.1    Boulet, R.2    Juguin, J.3    Lepinasse, A.4
  • 29
    • 0033327359 scopus 로고    scopus 로고
    • New developments in mass spectrometry for group-type analysis of petroleum cuts (first part)
    • Fafet A., Bonnard J., Prigent F. New developments in mass spectrometry for group-type analysis of petroleum cuts (first part). Oil and Gas Science and Technology - Revue De l'IFP 1999, 54:439-452.
    • (1999) Oil and Gas Science and Technology - Revue De l'IFP , vol.54 , pp. 439-452
    • Fafet, A.1    Bonnard, J.2    Prigent, F.3
  • 30
    • 84866870550 scopus 로고
    • And the sizing of populations introduction the education of a genetic algorithmist starts o tamely enough with the usual initiation to the rites
    • Goldberg D.E., Deb K., Clark J.H. And the sizing of populations introduction the education of a genetic algorithmist starts o tamely enough with the usual initiation to the rites. Complex Systems 1991.
    • (1991) Complex Systems
    • Goldberg, D.E.1    Deb, K.2    Clark, J.H.3
  • 32
    • 0026219665 scopus 로고
    • Reactivities, reaction networks, and kinetics in high-pressure catalytic hydroprocessing
    • Girgis M.J., Gates B.C. Reactivities, reaction networks, and kinetics in high-pressure catalytic hydroprocessing. Industrial and Engineering Chemistry Research 1991, 30:2021-2058.
    • (1991) Industrial and Engineering Chemistry Research , vol.30 , pp. 2021-2058
    • Girgis, M.J.1    Gates, B.C.2
  • 33
    • 0028274344 scopus 로고
    • Aromatic hydrogenation catalysis: a review
    • Stanislaus A., Cooper B.H. Aromatic hydrogenation catalysis: a review. Catalysis Reviews 1994, 36:75-123.
    • (1994) Catalysis Reviews , vol.36 , pp. 75-123
    • Stanislaus, A.1    Cooper, B.H.2
  • 34
    • 0029219992 scopus 로고
    • Polynuclear aromatic hydrocarbons hydrogenation. 1. Experimental reaction pathways and kinetics
    • Korre S.C., Klein M.T., Quann R.J. Polynuclear aromatic hydrocarbons hydrogenation. 1. Experimental reaction pathways and kinetics. Industrial and Engineering Chemistry Research 1995, 34:101-117.
    • (1995) Industrial and Engineering Chemistry Research , vol.34 , pp. 101-117
    • Korre, S.C.1    Klein, M.T.2    Quann, R.J.3
  • 35
    • 0028726895 scopus 로고
    • Hydrogenation of polynuclear aromatic hydrocarbons. 2. Quantitative structure/reactivity correlations
    • Korre S.C., Neurock M., Klein M.T., Quann R.J. Hydrogenation of polynuclear aromatic hydrocarbons. 2. Quantitative structure/reactivity correlations. Chemical Engineering 1994, 49:4191-4210.
    • (1994) Chemical Engineering , vol.49 , pp. 4191-4210
    • Korre, S.C.1    Neurock, M.2    Klein, M.T.3    Quann, R.J.4
  • 36
    • 0002801544 scopus 로고
    • The effect of structure upon the reactions of organic compounds. Benzene derivatives
    • Hammett L.P. The effect of structure upon the reactions of organic compounds. Benzene derivatives. Journal of the American Chemical Society 1937, 59:96-103.
    • (1937) Journal of the American Chemical Society , vol.59 , pp. 96-103
    • Hammett, L.P.1
  • 37
    • 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., Mochida I. Present state of the art and future challenges in the hydrodesulfurization of polyaromatic sulfur compounds. Advances in Catalysis 1998, 42:345-471.
    • (1998) Advances in Catalysis , vol.42 , pp. 345-471
    • Whitehurst, D.D.1    Isoda, T.2    Mochida, I.3
  • 38
    • 0020748298 scopus 로고
    • The kinetics of the hydrodesulfurization process-a review
    • Vrinat M.L. The kinetics of the hydrodesulfurization process-a review. Applied Catalysis 1983, 6:137-158.
    • (1983) Applied Catalysis , vol.6 , pp. 137-158
    • Vrinat, M.L.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.