메뉴 건너뛰기




Volumn 30, Issue 25, 2014, Pages 7435-7446

Molecular simulation of the adsorption of methane in engelhard titanosilicate frameworks

Author keywords

[No Author keywords available]

Indexed keywords

METHANE; MOLECULAR STRUCTURE; MOLECULES; POSITIVE IONS; SINGLE CRYSTALS;

EID: 84903734296     PISSN: 07437463     EISSN: 15205827     Source Type: Journal    
DOI: 10.1021/la501554v     Document Type: Article
Times cited : (9)

References (43)
  • 6
    • 84855228388 scopus 로고    scopus 로고
    • Modelling of carbon dioxide: Methane separation using titanium dioxide nanotubes
    • Baowan, D. Modelling of carbon dioxide: methane separation using titanium dioxide nanotubes J. Math. Chem. 2012, 50, 300-309
    • (2012) J. Math. Chem. , vol.50 , pp. 300-309
    • Baowan, D.1
  • 9
    • 79951985450 scopus 로고    scopus 로고
    • Adsorption and Diffusion of Methane and Nitrogen in Barium Exchanged ETS-4
    • Majumdar, B.; Bhadra, S. J.; Marathe, R. P.; Farooq, S. Adsorption and Diffusion of Methane and Nitrogen in Barium Exchanged ETS-4 Ind. Eng. Chem. Res. 2011, 50, 3021-3034
    • (2011) Ind. Eng. Chem. Res. , vol.50 , pp. 3021-3034
    • Majumdar, B.1    Bhadra, S.J.2    Marathe, R.P.3    Farooq, S.4
  • 10
    • 0035899362 scopus 로고    scopus 로고
    • A titanosilicate molecular sieve with adjustable pores for size-selective adsorption of molecules
    • DOI 10.1038/35089052
    • Kuznicki, S. M.; Bell, V. A.; Nair, S.; Hillhouse, H. W.; Jacubinas, R. M.; Braunbarth, C. M.; Toby, B. H.; Tsapatsis, M. A titanosilicate molecular sieve with adjustable pores for size-selective adsorption of molecules Nature 2001, 412, 720-724 (Pubitemid 32771991)
    • (2001) Nature , vol.412 , Issue.6848 , pp. 720-724
    • Kuznicki, S.M.1    Bell, V.A.2    Nair, S.3    Hillhouse, H.W.4    Jacubinas, R.M.5    Braunbarth, C.M.6    Toby, B.H.7    Tsapatsis, M.8
  • 12
    • 0035956564 scopus 로고    scopus 로고
    • A study of heat-treatment induced framework contraction in strontium-ETS-4 by powder neutron diffraction and vibrational spectroscopy
    • DOI 10.1021/ja011703z
    • Nair, S.; Tsapatsis, M.; Toby, B. H.; Kuznicki, S. M. A study of heat-treatment induced framework contraction in strontium-ETS-4 by powder neutron diffraction and vibrational spectroscopy J. Am. Chem. Soc. 2001, 123, 12781-12790 (Pubitemid 34015140)
    • (2001) Journal of the American Chemical Society , vol.123 , Issue.51 , pp. 12781-12790
    • Nair, S.1    Tsapatsis, M.2    Toby, B.H.3    Kuznicki, S.M.4
  • 14
    • 4043183982 scopus 로고    scopus 로고
    • Effect of ion exchange and dehydration temperature on the adsorption and diffusion of gases in ETS-4
    • Marathe, R. P.; Mantri, K.; Srinivasan, M. P.; Farooq, S. Effect of ion exchange and dehydration temperature on the adsorption and diffusion of gases in ETS-4 Ind. Eng. Chem. Res. 2004, 43, 5281-5290 (Pubitemid 39079362)
    • (2004) Industrial and Engineering Chemistry Research , vol.43 , Issue.17 , pp. 5281-5290
    • Marathe, R.P.1    Mantri, K.2    Srinivasan, M.P.3    Farooq, S.4
  • 15
    • 23944460058 scopus 로고    scopus 로고
    • Investigating entropy changes during gas adsorption in ETS-4
    • DOI 10.1016/j.jcis.2005.04.009, PII S002197970500384X
    • Marathe, R. P. Investigating entropy changes during gas adsorption in ETS-4 J. Colloid Interface Sci. 2005, 290, 69-75 (Pubitemid 41196712)
    • (2005) Journal of Colloid and Interface Science , vol.290 , Issue.1 , pp. 69-75
    • Marathe, R.P.1
  • 16
    • 18844459663 scopus 로고    scopus 로고
    • Modeling gas adsorption and transport in small-pore titanium silicates
    • DOI 10.1021/la046938d
    • Marathe, R. P.; Farooq, S.; Srinivasan, M. P. Modeling gas adsorption and transport in small-pore titanium silicates Langmuir 2005, 21, 4532-4546 (Pubitemid 40683383)
    • (2005) Langmuir , vol.21 , Issue.10 , pp. 4532-4546
    • Marathe, R.P.1    Farooq, S.2    Srinivasan, M.P.3
  • 17
    • 14844343226 scopus 로고    scopus 로고
    • Effects of site occupancy, cation relocation, and pore geometry on adsorption kinetics in ETS-4
    • Marathe, R. P.; Farooq, S.; Srinivasan, M. P. Effects of site occupancy, cation relocation, and pore geometry on adsorption kinetics in ETS-4 J. Phys. Chem. B 2005, 109, 3257-3261
    • (2005) J. Phys. Chem. B , vol.109 , pp. 3257-3261
    • Marathe, R.P.1    Farooq, S.2    Srinivasan, M.P.3
  • 18
    • 0001293060 scopus 로고    scopus 로고
    • The strong basicity of the microporous titanosilicate ETS-10
    • Philippou, A.; Rocha, J.; Anderson, M. W. The strong basicity of the microporous titanosilicate ETS-10 Catal. Lett. 1999, 57, 151-153 (Pubitemid 129554848)
    • (1999) Catalysis Letters , vol.57 , Issue.3 , pp. 151-153
    • Philippou, A.1    Rocha, J.2    Anderson, M.W.3
  • 19
    • 0000631390 scopus 로고    scopus 로고
    • Stoichiometric and sodium-doped titanium silicate molecular sieve containing atomically defined -OTiOTiO- chains: Quantum ab initio calculations, spectroscopic properties, and reactivity
    • Bordiga, S.; Palomino, G. T.; Zecchina, A.; Ranghino, G.; Giamello, E.; Lamberti, C. Stoichiometric and sodium-doped titanium silicate molecular sieve containing atomically defined -OTiOTiO- chains: Quantum ab initio calculations, spectroscopic properties, and reactivity J. Chem. Phys. 2000, 112, 3859-3867
    • (2000) J. Chem. Phys. , vol.112 , pp. 3859-3867
    • Bordiga, S.1    Palomino, G.T.2    Zecchina, A.3    Ranghino, G.4    Giamello, E.5    Lamberti, C.6
  • 21
    • 79955035738 scopus 로고    scopus 로고
    • Slow Release of NO by Microporous Titanosilicate ETS-4
    • Pinto, M. L.; Rocha, J.; Gomes, J. R. B.; Pires, J. Slow Release of NO by Microporous Titanosilicate ETS-4 J. Am. Chem. Soc. 2011, 133, 6396-6402
    • (2011) J. Am. Chem. Soc. , vol.133 , pp. 6396-6402
    • Pinto, M.L.1    Rocha, J.2    Gomes, J.R.B.3    Pires, J.4
  • 23
    • 10044237711 scopus 로고    scopus 로고
    • Effect of Si:Ti ratio on energetic heterogeneity in ETS-4
    • DOI 10.1016/j.ces.2004.07.055, PII S0009250904004932
    • Marathe, R. P.; Srinivasan, M. P.; Farooq, S. Effect of Si: Ti ratio on energetic heterogeneity in ETS-4 Chem. Eng. Sci. 2004, 59, 6021-6025 (Pubitemid 39606045)
    • (2004) Chemical Engineering Science , vol.59 , Issue.24 , pp. 6021-6025
    • Marathe, R.P.1    Srinivasan, M.P.2    Farooq, S.3
  • 24
    • 44449166545 scopus 로고    scopus 로고
    • Adsorption of carbon dioxide, methane, nitrogen, oxygen and argon in NaETS-4
    • Pillai, R. S.; Peter, S. A.; Jasra, R. V. Adsorption of carbon dioxide, methane, nitrogen, oxygen and argon in NaETS-4 Microporous Mesoporous Mater. 2008, 113, 268-276
    • (2008) Microporous Mesoporous Mater. , vol.113 , pp. 268-276
    • Pillai, R.S.1    Peter, S.A.2    Jasra, R.V.3
  • 25
    • 77950676909 scopus 로고    scopus 로고
    • A Molecular Simulation Study of Adsorption of Nitrogen and Methane in Titanium Silicate (ETS-4)
    • Siperstein, F. R.; Lisal, M.; Brennan, J. K. A Molecular Simulation Study of Adsorption of Nitrogen and Methane in Titanium Silicate (ETS-4) Collect. Czech. Chem. Commun. 2010, 75, 145-164
    • (2010) Collect. Czech. Chem. Commun. , vol.75 , pp. 145-164
    • Siperstein, F.R.1    Lisal, M.2    Brennan, J.K.3
  • 26
    • 83655190637 scopus 로고    scopus 로고
    • Separation of Methane-Nitrogen Mixture by Pressure Swing Adsorption for Natural Gas Upgrading
    • Bhadra, S. J.; Farooq, S. Separation of Methane-Nitrogen Mixture by Pressure Swing Adsorption for Natural Gas Upgrading Ind. Eng. Chem. Res. 2011, 50, 14030-14045
    • (2011) Ind. Eng. Chem. Res. , vol.50 , pp. 14030-14045
    • Bhadra, S.J.1    Farooq, S.2
  • 27
    • 54849412282 scopus 로고    scopus 로고
    • Molecular simulations of zeolites: Adsorption, diffusion, and shape selectivity
    • Smit, B.; Maesen, T. L. M. Molecular simulations of zeolites: Adsorption, diffusion, and shape selectivity Chem. Rev. 2008, 108, 4125-4184
    • (2008) Chem. Rev. , vol.108 , pp. 4125-4184
    • Smit, B.1    Maesen, T.L.M.2
  • 28
    • 3442888239 scopus 로고    scopus 로고
    • Computer simulations of adsorption and diffusion for binary mixtures of methane and hydrogen in titanosilicates
    • Mitchell, M. C.; Gallo, M.; Nenoff, T. M. Computer simulations of adsorption and diffusion for binary mixtures of methane and hydrogen in titanosilicates J. Chem. Phys. 2004, 121, 1910-1916
    • (2004) J. Chem. Phys. , vol.121 , pp. 1910-1916
    • Mitchell, M.C.1    Gallo, M.2    Nenoff, T.M.3
  • 29
    • 33748037377 scopus 로고    scopus 로고
    • Selectivities for binary mixtures of hydrogen/methane and hydrogen/carbon dioxide in silicalite and ETS-10 by Grand Canonical Monte Carlo techniques
    • DOI 10.1016/j.fluid.2006.06.014, PII S0378381206002949
    • Gallo, M.; Nenoff, T. M.; Mitchell, M. C. Selectivities for binary mixtures of hydrogen/methane and hydrogen/carbon dioxide in silicalite and ETS-10 by Grand Canonical Monte Carlo techniques Fluid Phase Equilib. 2006, 247, 135-142 (Pubitemid 44294734)
    • (2006) Fluid Phase Equilibria , vol.247 , Issue.1-2 , pp. 135-142
    • Gallo, M.1    Nenoff, T.M.2    Mitchell, M.C.3
  • 30
    • 51049121932 scopus 로고    scopus 로고
    • Molecular interplay of cations and nonpolar/polar sorbates in titanosilicate ETS-10
    • Nalaparaju, A.; Zhao, X. S.; Jiang, J. W. Molecular interplay of cations and nonpolar/polar sorbates in titanosilicate ETS-10 J. Phys. Chem. C 2008, 112, 12861-12868
    • (2008) J. Phys. Chem. C , vol.112 , pp. 12861-12868
    • Nalaparaju, A.1    Zhao, X.S.2    Jiang, J.W.3
  • 31
    • 0033532681 scopus 로고    scopus 로고
    • Crystal structure of the microporous titanosilicate ETS-10 refined from single crystal X-ray diffraction data
    • Wang, X. Q.; Jacobson, A. J. Crystal structure of the microporous titanosilicate ETS-10 refined from single crystal X-ray diffraction data Chem. Commun. 1999, 973-974 (Pubitemid 29259694)
    • (1999) Chemical Communications , Issue.11 , pp. 973-974
    • Wang, X.1    Jacobson, A.J.2
  • 32
    • 0037895903 scopus 로고    scopus 로고
    • Object-oriented programming paradigms for molecular modeling
    • DOI 10.1080/0892702031000065719, PII U4CVNW4PBNUT1QHN
    • Gupta, A.; Chempath, S.; Sanborn, M. J.; Clark, L. A.; Snurr, R. Q. Object-oriented programming paradigms for molecular modeling Mol. Simul. 2003, 29, 29-46 (Pubitemid 44121109)
    • (2003) Molecular Simulation , vol.29 , Issue.1 , pp. 29-46
    • Gupta, A.1    Chempath, S.2    Sanborn, M.J.3    Clark, L.A.4    Snurr, R.Q.5
  • 33
    • 1642397608 scopus 로고    scopus 로고
    • Molecular Modeling of Binary Liquid-Phase Adsorption of Aromatics in Silicalite
    • DOI 10.1002/aic.10040
    • Chempath, S.; Snurr, R. Q.; Low, J. J. Molecular modeling of binary liquid-phase adsorption of aromatics in silicalite AIChE J. 2004, 50, 463-469 (Pubitemid 38366563)
    • (2004) AIChE Journal , vol.50 , Issue.2 , pp. 463-469
    • Chempath, S.1    Snurr, R.Q.2    Low, J.J.3
  • 34
    • 0042041206 scopus 로고
    • UFF, a Full Periodic-Table Force-Field for Molecular Mechanics and Molecular-Dynamics Simulations
    • Rappe, A. K.; Casewit, C. J.; Colwell, K. S.; Goddard, W. A.; Skiff, W. M. UFF, a Full Periodic-Table Force-Field for Molecular Mechanics and Molecular-Dynamics Simulations J. Am. Chem. Soc. 1992, 114, 10024-10035
    • (1992) J. Am. Chem. Soc. , vol.114 , pp. 10024-10035
    • Rappe, A.K.1    Casewit, C.J.2    Colwell, K.S.3    Goddard, W.A.4    Skiff, W.M.5
  • 35
    • 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 1998, 102, 2569-2577 (Pubitemid 128576584)
    • (1998) Journal of Physical Chemistry B , vol.102 , Issue.14 , pp. 2569-2577
    • Martin, M.G.1    Siepmann, J.I.2
  • 37
    • 19544394446 scopus 로고    scopus 로고
    • Adsorption of methane, ethane, and ethylene on titanosilicate ETS-10 zeolite
    • Al-Baghli, N. A.; Loughlin, K. F. Adsorption of methane, ethane, and ethylene on titanosilicate ETS-10 zeolite J. Chem. Eng. Data 2005, 50, 843-848
    • (2005) J. Chem. Eng. Data , vol.50 , pp. 843-848
    • Al-Baghli, N.A.1    Loughlin, K.F.2
  • 40
    • 0041025159 scopus 로고    scopus 로고
    • A rapid method of synthesizing the titanium silicate ETS-10
    • Das, T. K.; Chandwadkar, A. J.; Sivasanker, S. A rapid method of synthesizing the titanium silicate ETS-10 Chem. Commun. 1996, 1105-1106 (Pubitemid 126423479)
    • (1996) Chemical Communications , Issue.10 , pp. 1105-1106
    • Das, T.Kr.1    Chandwadkar, A.J.2    Sivasanker, S.3
  • 43
    • 84903723211 scopus 로고    scopus 로고
    • Accurate Model for Predicting Adsorption of Olefins and Paraffins on MOFs with Open Metal Sites
    • 10.1021/ie500310c
    • Jorge, M.; Fischer, M.; Gomes, J. R. B.; Siquet, C.; Santos, J. C.; Rodrigues, A. E. Accurate Model for Predicting Adsorption of Olefins and Paraffins on MOFs with Open Metal Sites Ind. Eng. Chem. Res. 2014, 10.1021/ie500310c
    • (2014) Ind. Eng. Chem. Res.
    • Jorge, M.1    Fischer, M.2    Gomes, J.R.B.3    Siquet, C.4    Santos, J.C.5    Rodrigues, A.E.6


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.