메뉴 건너뛰기




Volumn 69, Issue 1-2, 2004, Pages 9-18

Simulating the adsorption of linear, branched and cyclic alkanes in silicalite-1 and AlPO4-5

Author keywords

Alkanes; Cyclic alkanes; Monte Carlo simulations; Sorption; Zeolite

Indexed keywords

ADSORPTION ISOTHERMS; MICROSCOPIC EXAMINATION; MONTE CARLO METHODS; PARAFFINS; PRESSURE DISTRIBUTION; SILICON COMPOUNDS; TEMPERATURE DISTRIBUTION;

EID: 1642300688     PISSN: 13871811     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.micromeso.2003.12.022     Document Type: Article
Times cited : (40)

References (31)
  • 1
    • 0003812510 scopus 로고    scopus 로고
    • Coking during ethene conversion on ultrastable zeolite Y
    • Paweewan B. Barrie P.J. Gladden L.F. Coking during ethene conversion on ultrastable zeolite Y Appl. Catal. A 167 1998 353-362
    • (1998) Appl. Catal. A , vol.167 , pp. 353-362
    • Paweewan, B.1    Barrie, P.J.2    Gladden, L.F.3
  • 2
    • 0033588781 scopus 로고    scopus 로고
    • Coking and deactivation during n-hexane cracking in ultrastable zeolite Y
    • Paweewan B. Barrie P.J. Gladden L.F. Coking and deactivation during n-hexane cracking in ultrastable zeolite Y Appl. Catal. A 185 1999 259-268
    • (1999) Appl. Catal. A , vol.185 , pp. 259-268
    • Paweewan, B.1    Barrie, P.J.2    Gladden, L.F.3
  • 3
    • 0043048398 scopus 로고    scopus 로고
    • Investigation of coking phenomena in zeolite HY using deuterium NMR
    • Cheah K.Y. Alexander P. Gladden L.F. Investigation of coking phenomena in zeolite HY using deuterium NMR Appl. Catal. A. 148 1997 387-403
    • (1997) Appl. Catal. A. , vol.148 , pp. 387-403
    • Cheah, K.Y.1    Alexander, P.2    Gladden, L.F.3
  • 5
    • 0036696911 scopus 로고    scopus 로고
    • Experimental and molecular simulation studies of adsorption and diffusion of cyclic hydrocarbons in silicalite-1
    • Song L. Sun Z.-L. Rees L.V. Experimental and molecular simulation studies of adsorption and diffusion of cyclic hydrocarbons in silicalite-1 Micropor. Mesopor. Mater. 55 2002 31-49
    • (2002) Micropor. Mesopor. Mater. , vol.55 , pp. 31-49
    • Song, L.1    Sun, Z.-L.2    Rees, L.V.3
  • 6
    • 33749636186 scopus 로고    scopus 로고
    • FT-Raman studies of single component and binary adsorption in silicalite-1
    • Ashtekar S. Hastings J.J. Gladden L.F. FT-Raman studies of single component and binary adsorption in silicalite-1 J. Chem. Soc. Faraday. Trans. 94 8 1998 1157-1161
    • (1998) J. Chem. Soc. Faraday. Trans. , vol.94 , Issue.8 , pp. 1157-1161
    • Ashtekar, S.1    Hastings, J.J.2    Gladden, L.F.3
  • 7
    • 0033733124 scopus 로고    scopus 로고
    • Grand canonical Monte Carlo simulations of nonrigid molecules: Siting and segregation in silicalite zeolite
    • Gupta A. Clark L.A. Snurr R.Q. Grand canonical Monte Carlo simulations of nonrigid molecules: Siting and segregation in silicalite zeolite Langmuir 16 2000 3910-3919
    • (2000) Langmuir , vol.16 , pp. 3910-3919
    • Gupta, A.1    Clark, L.A.2    Snurr, R.Q.3
  • 8
    • 16644401328 scopus 로고    scopus 로고
    • Molecular simulations of adsorption isotherms for linear and branched alkanes and their mixtures in silicalite
    • Vlugt T.J.H. Krishna R. Smit B. Molecular simulations of adsorption isotherms for linear and branched alkanes and their mixtures in silicalite J. Phys. Chem. B 103 1999 1102-1118
    • (1999) J. Phys. Chem. B , vol.103 , pp. 1102-1118
    • Vlugt, T.J.H.1    Krishna, R.2    Smit, B.3
  • 9
    • 33751158666 scopus 로고
    • n-alkanes in zeolites
    • Smit B. Siepmann J.I. n-alkanes in zeolites J. Phys. Chem. 98 34 1994 8442-8452
    • (1994) J. Phys. Chem. , vol.98 , Issue.34 , pp. 8442-8452
    • Smit, B.1    Siepmann, J.I.2
  • 11
    • 0000924722 scopus 로고
    • Grand canonical Monte Carlo simulations of chain molecules: Adsorption isotherms of alkanes in zeolites
    • Smit B. Grand canonical Monte Carlo simulations of chain molecules: Adsorption isotherms of alkanes in zeolites Mol. Phys. 85 1 1995 153-172
    • (1995) Mol. Phys. , vol.85 , Issue.1 , pp. 153-172
    • Smit, B.1
  • 12
    • 0036257033 scopus 로고    scopus 로고
    • Entropy effects during sorption of alkanes in zeolites
    • Krishna R. Smit B. Calero S. Entropy effects during sorption of alkanes in zeolites Chem. Soc. Rev. 31 2002 185-194
    • (2002) Chem. Soc. Rev. , vol.31 , pp. 185-194
    • Krishna, R.1    Smit, B.2    Calero, S.3
  • 15
    • 0037190242 scopus 로고    scopus 로고
    • Investigation of entropy effects during sorption of mixtures of alkanes in MFI zeolite
    • Krishna R. Calero S. Smit B. Investigation of entropy effects during sorption of mixtures of alkanes in MFI zeolite Chem. Eng. J. 88 1-3 2002 81-94
    • (2002) Chem. Eng. J. , vol.88 , Issue.1-3 , pp. 81-94
    • Krishna, R.1    Calero, S.2    Smit, B.3
  • 16
    • 0001061046 scopus 로고    scopus 로고
    • Transferable potentials for phase equilibria. 1. United atom description of n-alkanes
    • Martin M.G. Siepmann J.I. Transferable potentials for phase equilibria. 1. United atom description of n-alkanes J. Phys. Chem. B 102 1998 2569-2577
    • (1998) J. Phys. Chem. B , vol.102 , pp. 2569-2577
    • Martin, M.G.1    Siepmann, J.I.2
  • 17
    • 37049092739 scopus 로고
    • Molecular statistical calculation of the thermodynamic adsorption characteristics of zeolites using the atom-atom approximation
    • Kiselev A.V. Du P.Q. Molecular statistical calculation of the thermodynamic adsorption characteristics of zeolites using the atom-atom approximation J. Chem. Soc., Faraday Trans. 77 1981 1-15
    • (1981) J. Chem. Soc., Faraday Trans. , vol.77 , pp. 1-15
    • Kiselev, A.V.1    Du, P.Q.2
  • 18
    • 0021575526 scopus 로고
    • Structure selectivity relationship in xylene isomerization and selective toluene disproportionation
    • D.H. Olson, W.O. Haag, Structure selectivity relationship in xylene isomerization and selective toluene disproportionation, ACS Symposium Series, 1984
    • (1984) ACS Symposium Series
    • Olson, D.H.1    Haag, W.O.2
  • 19
    • 0034232977 scopus 로고    scopus 로고
    • Transport properties of alumina-supported MFI membranes made by secondary (seeded) growth
    • Xomeritakis G. Nair S. Tsapatsis M. Transport properties of alumina-supported MFI membranes made by secondary (seeded) growth Micropor. Mesopor. Mater. 38 1 2000 61-73
    • (2000) Micropor. Mesopor. Mater. , vol.38 , Issue.1 , pp. 61-73
    • Xomeritakis, G.1    Nair, S.2    Tsapatsis, M.3
  • 21
    • 0037069643 scopus 로고    scopus 로고
    • Influence of framework flexibility on the adsorption properties of hydrocarbons in the zeolite silicalite
    • Vlugt T.J.H. Schenk M. Influence of framework flexibility on the adsorption properties of hydrocarbons in the zeolite silicalite J. Phys. Chem. B 106 2002 12757-12763
    • (2002) J. Phys. Chem. B , vol.106 , pp. 12757-12763
    • Vlugt, T.J.H.1    Schenk, M.2
  • 22
    • 0000921686 scopus 로고
    • Computer simulations of vapour-liquid phase equilibria of n-alkanes
    • Smit B. Karaborni S. Siepmann J.I. Computer simulations of vapour-liquid phase equilibria of n-alkanes J. Chem. Phys. 102 5 1995 2126-2140
    • (1995) J. Chem. Phys. , vol.102 , Issue.5 , pp. 2126-2140
    • Smit, B.1    Karaborni, S.2    Siepmann, J.I.3
  • 23
    • 0001626403 scopus 로고    scopus 로고
    • Intermolecular potentials for branched alkanes and the vapour-liquid phase equilibria of n-heptane, 2-methylhexane, and 3-ethylpentane
    • Siepmann J.I. Martin M.G. Mundy C.J. Klein M.L. Intermolecular potentials for branched alkanes and the vapour-liquid phase equilibria of n-heptane, 2-methylhexane, and 3-ethylpentane Mol. Phys. 90 5 1997 687-693
    • (1997) Mol. Phys. , vol.90 , Issue.5 , pp. 687-693
    • Siepmann, J.I.1    Martin, M.G.2    Mundy, C.J.3    Klein, M.L.4
  • 24
    • 3343013019 scopus 로고
    • Potential parameters of methyl and methylene obtained from second virial coefficients of n-alkanes
    • Rodriguez A.L. Vega C. Freire J.J. Lago S. Potential parameters of methyl and methylene obtained from second virial coefficients of n-alkanes Mol. Phys. 73 3 1991 691-701
    • (1991) Mol. Phys. , vol.73 , Issue.3 , pp. 691-701
    • Rodriguez, A.L.1    Vega, C.2    Freire, J.J.3    Lago, S.4
  • 25
    • 0022716824 scopus 로고
    • Sorption and packing of n-alkane molecules in ZSM-5
    • Richards R.E. Rees L.V.C. Sorption and packing of n-alkane molecules in ZSM-5 Langmuir 3 1987 335-340
    • (1987) Langmuir , vol.3 , pp. 335-340
    • Richards, R.E.1    Rees, L.V.C.2
  • 26
    • 0029209569 scopus 로고
    • Adsorption of branched and cyclic paraffins in silicalite
    • Cavalcante C.L.Jr. Ruthven D.M. Adsorption of branched and cyclic paraffins in silicalite Ind. Eng. Chem. Res. 34 1995 177-184
    • (1995) Ind. Eng. Chem. Res. , vol.34 , pp. 177-184
    • Cavalcante Jr., C.L.1    Ruthven, D.M.2
  • 27
    • 0000343598 scopus 로고    scopus 로고
    • Adsorption and diffusion of cyclic hydrocarbons in MFI-type zeolites studied by gravimetric and frequency-response techniques
    • Song L. Rees L.V.C. Adsorption and diffusion of cyclic hydrocarbons in MFI-type zeolites studied by gravimetric and frequency-response techniques Micropor. Mesopor. Mater. 35-36 2000 301-314
    • (2000) Micropor. Mesopor. Mater. , vol.35-36 , pp. 301-314
    • Song, L.1    Rees, L.V.C.2
  • 31
    • 0000013131 scopus 로고    scopus 로고
    • Novel Configurational-Bias Monte Carlo method for branched molecules. Transferable potentials for phase equilibria. 2. United atom description of branched alkanes
    • Martin M.G. Siepmann J.I. Novel Configurational-Bias Monte Carlo method for branched molecules. Transferable potentials for phase equilibria. 2. United atom description of branched alkanes J. Phys. Chem. B 103 1999 4508-4517
    • (1999) J. Phys. Chem. B , vol.103 , pp. 4508-4517
    • Martin, M.G.1    Siepmann, J.I.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.