-
3
-
-
24344476748
-
-
M. Lu, X.S. Zhao (eds.) Imperial College Press, London
-
M. Lu and X.S. Zhao (eds.), Nanoporous Materials: Science and Engineering, Imperial College Press, London, 2004.
-
(2004)
Nanoporous Materials: Science and Engineering
-
-
-
6
-
-
0001349175
-
Molecular dynamics simulation of the diffusion of n-butane and i-butane in silicalite
-
A. Bouyermaouen and A. Bellemans, Molecular dynamics simulation of the diffusion of n-butane and i-butane in silicalite, J. Chem. Phys. 108 (1998), pp. 2170-2172.
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 2170-2172
-
-
Bouyermaouen, A.1
Bellemans, A.2
-
7
-
-
70349599661
-
-
Ph.D. thesis, Northwestern University, Evanston, IL, USA
-
L.A. Clark, Confinement and pore shape effects on adsorption, diffusion and reaction in zeolites, Ph.D. thesis, Northwestern University, Evanston, IL, USA, 2000.
-
(2000)
Confinement and Pore Shape Effects on Adsorption, Diffusion and Reaction in Zeolites
-
-
Clark, L.A.1
-
8
-
-
33751554539
-
Molecular dynamics studies on zeolites. 4. Diffusion of methane in silicalite
-
P. Demontis, E.S. Fois, G.B. Suffritti, and S. Quartieri, Molecular dynamics studies on zeolites. 4. Diffusion of methane in silicalite, J. Phys. Chem. 94 (1990), pp. 4329-4334.
-
(1990)
J. Phys. Chem.
, vol.94
, pp. 4329-4334
-
-
Demontis, P.1
Fois, E.S.2
Suffritti, G.B.3
Quartieri, S.4
-
9
-
-
58149325654
-
Evidence for single file diffusion of ethane in the molecular sieve AlPO4-5
-
S. Gupta, S.S. Nivarthi, A.V. McCormick, and H.T. Danish, Evidence for single file diffusion of ethane in the molecular sieve AlPO4-5, Chem. Phys. Lett. 247 (1995), pp. 596-600.
-
(1995)
Chem. Phys. Lett.
, vol.247
, pp. 596-600
-
-
Gupta, S.1
Nivarthi, S.S.2
McCormick, A.V.3
Danish, H.T.4
-
10
-
-
38949203867
-
Towards a molecular understanding of shape selectivity
-
B. Smit and T.L.M. Maesen, Towards a molecular understanding of shape selectivity, Nature 451 (2008), pp. 671-678.
-
(2008)
Nature
, vol.451
, pp. 671-678
-
-
Smit, B.1
Maesen, T.L.M.2
-
11
-
-
0036573309
-
Atomistic molecular dynamics simulation of diffusion in binary liquid n-alkane mixtures
-
V.A. Harmandaris, D. Angelopoulou, V.G. Mavramtzas, and D.N. Theodorou, Atomistic molecular dynamics simulation of diffusion in binary liquid n-alkane mixtures, J. Chem. Phys. 116 (2002), pp. 7656-7665.
-
(2002)
J. Chem. Phys.
, vol.116
, pp. 7656-7665
-
-
Harmandaris, V.A.1
Angelopoulou, D.2
Mavramtzas, V.G.3
Theodorou, N.D.4
-
12
-
-
0029639823
-
Molecular dynamics simulations of n-butane and n-hexane diffusion in silicalite
-
E. Hernández and C.R.A. Catlow, Molecular dynamics simulations of n-butane and n-hexane diffusion in silicalite, Proc. R. Soc. Lond. A 448 (1995), pp. 143-160.
-
(1995)
Proc. R. Soc. Lond. A
, vol.448
, pp. 143-160
-
-
Hernández, E.1
Catlow, C.R.A.2
-
13
-
-
0033626724
-
The generalized Maxwell-Stefan model for diffusion in zeolites: Sorbate molecules with different saturation loadings
-
F. Kapteijn, J.A. Moulijn, and R. Krishna, The generalized Maxwell-Stefan model for diffusion in zeolites: sorbate molecules with different saturation loadings, Chem. Eng. Sci. 55 (2000), pp. 2923-2930.
-
(2000)
Chem. Eng. Sci.
, vol.55
, pp. 2923-2930
-
-
Kapteijn, F.1
Moulijn, J.A.2
Krishna, R.3
-
14
-
-
70349593056
-
Diffusion in zeolites, in Handbook of Zeolite Catalysis and Microporous Materials
-
S. Auerbach, K.A. Carrado, and P.K. Dutta, eds. New York, NY
-
J. Kärger, S. Vasenkov, and S. Auerbach, Diffusion in zeolites, in Handbook of Zeolite Catalysis and Microporous Materials, S. Auerbach, K.A. Carrado, and P.K. Dutta, eds., Marcel Dekker, Inc., New York, NY, 2002.
-
(2002)
Marcel Dekker, Inc.
-
-
Kärger, J.1
Vasenkov, S.2
Auerbach, S.3
-
15
-
-
33144485459
-
Understanding diffusion in nanoporous materials
-
E. Beerdsen, D. Dubbeldam, and B. Smit, Understanding diffusion in nanoporous materials, Phys. Rev. Lett. 96 (2006), 044501.
-
(2006)
Phys. Rev. Lett.
, vol.96
, pp. 044501
-
-
Beerdsen, E.1
Dubbeldam, D.2
Smit, B.3
-
16
-
-
34248679614
-
Recent developments in the molecular modeling of diffusion in nanoporous materials
-
D. Dubbeldam and R.Q. Snurr, Recent developments in the molecular modeling of diffusion in nanoporous materials, Mol. Sim. 33 (2007), pp. 305-325.
-
(2007)
Mol. Sim.
, vol.33
, pp. 305-325
-
-
Dubbeldam, D.1
Snurr, R.Q.2
-
17
-
-
0035833312
-
Adsorption of guest molecules in zeolite materials: Computational aspects
-
A.H. Fuchs and A.K. Cheetham, Adsorption of guest molecules in zeolite materials: computational aspects, J. Phys. Chem. B 105 (2001), pp. 7375-7383.
-
(2001)
J. Phys. Chem. B
, vol.105
, pp. 7375-7383
-
-
Fuchs, A.H.1
Cheetham, A.K.2
-
18
-
-
84940453532
-
Recommendations for the characterization of porous solids
-
J. Rouquerol, D. Avnir, C.W. Fairbridge, D.H. Everett, J.H. Haynes, N. Pernicone, J.D.F. Ramsay, and K.S.W. Sing, Recommendations for the characterization of porous solids, Pure Appl. Chem. 66 (1994), pp. 1739-1758.
-
(1994)
Pure Appl. Chem.
, vol.66
, pp. 1739-1758
-
-
Rouquerol, J.1
Avnir, D.2
Fairbridge, C.W.3
Everett, D.H.4
Haynes, J.H.5
Pernicone, N.6
Ramsay, J.D.F.7
Sing, K.S.W.8
-
19
-
-
84939775172
-
Reporting physisorption data for gas/solid systems with special reference to the determination of surface area and porosity
-
K.S.W. Sing, D.H. Everett, R.A.W. Haul, L. Moscou, R.A. Pierotti, N. Rouquerol, and T. Siemieniewska, Reporting physisorption data for gas/solid systems with special reference to the determination of surface area and porosity, Pure Appl. Chem. 57 (1985), pp. 603-619.
-
(1985)
Pure Appl. Chem.
, vol.57
, pp. 603-619
-
-
Sing, K.S.W.1
Everett, D.H.2
Haul, R.A.W.3
Moscou, L.4
Pierotti, R.A.5
Rouquerol, N.6
Siemieniewska, T.7
-
20
-
-
0004215006
-
Phase separation in confined system
-
L.D. Gelb, K.E. Gubbins, R. Radhakrishnan, and M. Sliwinska-Bartkowiak, Phase separation in confined system, Rep. Porg. Phys. 62 (1999), pp. 1573-1659.
-
(1999)
Rep. Porg. Phys.
, vol.62
, pp. 1573-1659
-
-
Gelb, L.D.1
Gubbins, K.E.2
Radhakrishnan, R.3
Sliwinska-Bartkowiak, M.4
-
21
-
-
9744246345
-
Capillary condensation and adsorption in cylindrical and slit-like pores
-
R. Evans, U.M.B. Marconi, and P. Tarazona, Capillary condensation and adsorption in cylindrical and slit-like pores, J. Chem. Soc. Faraday Trans. 2 82 (1986), pp. 1763-1787.
-
(1986)
J. Chem. Soc. Faraday Trans
, vol.2
, Issue.82
, pp. 1763-1787
-
-
Evans, R.1
Marconi, U.M.B.2
Tarazona, P.3
-
22
-
-
84946640495
-
Phase equilibria of fluid interfaces and confined fluids
-
P. Tarazona, U.M.B. Marconi, and R. Evans, Phase equilibria of fluid interfaces and confined fluids, Mol. Phys. 60 (1987), pp. 573-595.
-
(1987)
Mol. Phys.
, vol.60
, pp. 573-595
-
-
Tarazona, P.1
Marconi, U.M.B.2
Evans, R.3
-
23
-
-
36048988048
-
Anisotropic self-diffusion in nanofluidic structures
-
H. Bock, K.E. Gubbins, and M. Schoen, Anisotropic self-diffusion in nanofluidic structures, J. Phys. Chem. C 111 (2007), pp. 15493-15504.
-
(2007)
J. Phys. Chem. C
, vol.111
, pp. 15493-15504
-
-
Bock, H.1
Gubbins, K.E.2
Schoen, M.3
-
24
-
-
0004602551
-
The method of indeterminate Lagrange multipliers in nonlocal density functional theory
-
A.V. Neimark, The method of indeterminate Lagrange multipliers in nonlocal density functional theory, Langmuir 11 (1995), pp. 4183-4184.
-
(1995)
Langmuir
, vol.11
, pp. 4183-4184
-
-
Neimark, A.V.1
-
25
-
-
0037023048
-
Density functional theory of adsorption in spherical cavities and pore size characterization of templated nanoporous silicas with cubic and three-dimensional hexagonal structures
-
P.I. Ravikovitch and A.V. Neimark, Density functional theory of adsorption in spherical cavities and pore size characterization of templated nanoporous silicas with cubic and three-dimensional hexagonal structures, Langmuir 18 (2002), pp. 1550-1560.
-
(2002)
Langmuir
, vol.18
, pp. 1550-1560
-
-
Ravikovitch, P.I.1
Neimark, A.V.2
-
26
-
-
34548011470
-
Freezing of argon in ordered and disordered porous carbon
-
B. Coasne, S.K. Jain, L. Naamar, and K.E. Gubbins, Freezing of argon in ordered and disordered porous carbon, Phys. Rev. B 76 (2007), 085416.
-
(2007)
Phys. Rev. B
, vol.76
, pp. 085416
-
-
Coasne, B.1
Jain, S.K.2
Naamar, L.3
Gubbins, K.E.4
-
27
-
-
33746998449
-
Molecular modeling and adsorption properties of porous carbons
-
S.K. Jain, K.E. Gubbins, R.J.M. Pellenq, and J.P. Pikunic, Molecular modeling and adsorption properties of porous carbons, Carbon 44 (2006), pp. 2445-2451.
-
(2006)
Carbon
, vol.44
, pp. 2445-2451
-
-
Jain, S.K.1
Gubbins, K.E.2
Pellenq, R.J.M.3
Pikunic, J.P.4
-
28
-
-
32644459158
-
Molecular dynamics of butane and hexane in silicalite
-
R.L. June, A.T. Bell, and D.N. Theodorou, Molecular dynamics of butane and hexane in silicalite, J. Phys. Chem. 96 (1992), pp. 1051-1060.
-
(1992)
J. Phys. Chem.
, vol.96
, pp. 1051-1060
-
-
June, R.L.1
Bell, A.T.2
Theodorou, D.N.3
-
29
-
-
0033749117
-
Adsorption studies of methane, ethane, and argon in the zeolite mordenite: Molecular simulations and experiments
-
M.D. Macedonia, D.D. Moore, E.J. Maginn, and M.M. Olken, Adsorption studies of methane, ethane, and argon in the zeolite mordenite: molecular simulations and experiments, Langmuir 16 (2000), pp. 3823-3834.
-
(2000)
Langmuir
, vol.16
, pp. 3823-3834
-
-
MacEdonia, M.D.1
Moore, D.D.2
Maginn, E.J.3
Olken, M.M.4
-
30
-
-
0033733124
-
Grand canonical Monte Carlo simulations of nonrigid molecules: Siting and segregation in silicalite zeolite
-
A. Gupta, L.A. Clark, and R.Q. Snurr, Grand canonical Monte Carlo simulations of nonrigid molecules: siting and segregation in silicalite zeolite, Langmuir 16 (2000), pp. 3910-3919.
-
(2000)
Langmuir
, vol.16
, pp. 3910-3919
-
-
Gupta, A.1
Clark, L.A.2
Snurr, R.Q.3
-
31
-
-
33646961706
-
Prediction of low occupancy sorption of alkanes in silicalite
-
R.L. June, A.T. Bell, and D.N. Theodorou, Prediction of low occupancy sorption of alkanes in silicalite, J. Phys. Chem. 94 (1990), pp. 1508-1516.
-
(1990)
J. Phys. Chem.
, vol.94
, pp. 1508-1516
-
-
June, R.L.1
Bell, A.T.2
Theodorou, D.N.3
-
32
-
-
8944251632
-
Energetics of nalkanes in zeolites: A configurational-bias Monte Carlo investigation into pore size dependence
-
S.P. Bates, W.J.M. van Well, R.A. van Santen, and B. Smit, Energetics of n-alkanes in zeolites: a configurational-bias Monte Carlo investigation into pore size dependence, J. Am. Chem. Soc. 118 (1996), pp. 6753-6759.
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 6753-6759
-
-
Bates, S.P.1
Van Well, W.J.M.2
Van Santen, R.A.3
Smit, B.4
-
33
-
-
54849412282
-
Molecular simulations of zeolites: Adsorption, diffusion, and shape selectivity
-
B. Smit and T.L.M. Maesen, Molecular simulations of zeolites: adsorption, diffusion, and shape selectivity, Chem. Rev. 108 (2008), pp. 4125-4184.
-
(2008)
Chem. Rev.
, vol.108
, pp. 4125-4184
-
-
Smit, B.1
Maesen, T.L.M.2
-
34
-
-
29244466461
-
Pore size distribution analysis of activated carbons: Application of density functional theory using nongraphitized carbon black as a reference system
-
E.A. Ustinov, D.D. Do, and V.B. Fenelonov, Pore size distribution analysis of activated carbons: application of density functional theory using nongraphitized carbon black as a reference system, Carbon 44 (2006), pp. 653-663.
-
(2006)
Carbon
, vol.44
, pp. 653-663
-
-
Ustinov, E.A.1
Do, D.D.2
Fenelonov, V.B.3
-
35
-
-
36148960122
-
Determination of the space between closed multiwalled carbon nanotubes by GCMC simulation of nitrogen adsorption
-
S. Furmaniak, A.P. Terzyk, P.A. Gauden, K. Lota, E. Frackowiak, F. Beguin, and P. Kowalczyk, Determination of the space between closed multiwalled carbon nanotubes by GCMC simulation of nitrogen adsorption, J. Coll. Inter. Sci. 317 (2008), pp. 442-448.
-
(2008)
J. Coll. Inter. Sci.
, vol.317
, pp. 442-448
-
-
Furmaniak, S.1
Terzyk, A.P.2
Gauden, P.A.3
Lota, K.4
Frackowiak, E.5
Beguin, F.6
Kowalczyk, P.7
-
36
-
-
53949110303
-
Argon adsorption in channel-like mesoporous carbons at 77 K: Grand canonical Monte Carlo simulations and pore size analysis
-
S. Furmaniak, A.P. Terzyk, M. Jaroniec, and P.A. Gauden, Argon adsorption in channel-like mesoporous carbons at 77 K: grand canonical Monte Carlo simulations and pore size analysis, Microporous Mesoporous Mater. 116 (2008), pp. 665-669.
-
(2008)
Microporous Mesoporous Mater
, vol.116
, pp. 665-669
-
-
Furmaniak, S.1
Terzyk, A.P.2
Jaroniec, M.3
Gauden, P.A.4
-
37
-
-
0024142593
-
Monte Carlo simulations on the relation between the structure and properties of zeolites: The adsorption of small hydrocarbons
-
B. Smit and C.J.J. den Ouden, Monte Carlo simulations on the relation between the structure and properties of zeolites: the adsorption of small hydrocarbons, J. Phys. Chem. 92 (1988), pp. 7169-7171.
-
(1988)
J. Phys. Chem.
, vol.92
, pp. 7169-7171
-
-
Smit, B.1
Den Ouden, C.J.J.2
-
38
-
-
85052417406
-
-
Elsevier, Amsterdam
-
C. Baerlocher, L.B. McCusker, and D.H. Olson, Atlas of Zeolite Framework Types, Elsevier, Amsterdam, 2007.
-
(2007)
Atlas of Zeolite Framework Types
-
-
Baerlocher, C.1
McCusker, L.B.2
Olson, D.H.3
-
39
-
-
4644257488
-
The use of molecular probes for the characterization of nanoporous adsorbents
-
K.S.W. Sing and R.T. Williams, The use of molecular probes for the characterization of nanoporous adsorbents, Part. Part. Syst. Charact. 21 (2004), pp. 71-79.
-
(2004)
Part. Part. Syst. Charact.
, vol.21
, pp. 71-79
-
-
Sing, K.S.W.1
Williams, R.T.2
-
40
-
-
0000924722
-
Grand-canonical Monte Carlo simulations of chain molecules: Adsorption isotherms of alkanes in zeolites
-
B. Smit, Grand-canonical Monte Carlo simulations of chain molecules: adsorption isotherms of alkanes in zeolites, Mol. Phys. 85 (1995), pp. 153-172.
-
(1995)
Mol. Phys.
, vol.85
, pp. 153-172
-
-
Smit, B.1
-
41
-
-
33646963621
-
Simulating the adsorption isotherms of methane, ethane, and propane in the zeolite silicalite
-
B. Smit, Simulating the adsorption isotherms of methane, ethane, and propane in the zeolite silicalite, J. Phys. Chem. 99 (1995), pp. 5597-5603.
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 5597-5603
-
-
Smit, B.1
-
42
-
-
16644401328
-
Molecular simulations of adsorption isotherms for linear and branched alkanes and their mixtures in silicalite
-
T.J.H. Vlugt, R. Krishna, and B. Smit, Molecular simulations of adsorption isotherms for linear and branched alkanes and their mixtures in silicalite, J. Phys. Chem. B 103 (1999), pp. 1102-1118.
-
(1999)
J. Phys. Chem. B
, vol.103
, pp. 1102-1118
-
-
Vlugt, T.J.H.1
Krishna, R.2
Smit, B.3
-
43
-
-
84870726202
-
-
Academic Press, San Diego, CA
-
D. Frenkel and B. Smit, Understanding Molecular Simulation: From Algorithms to Applications, 2nd ed., Academic Press, San Diego, CA, 2002.
-
(2002)
Understanding Molecular Simulation: From Algorithms to Applications, 2nd Ed.
-
-
Frenkel, D.1
Smit, B.2
-
44
-
-
4344668132
-
United force field for alkanes in nanoporous materials
-
D. Dubbeldam, S. Calero, T.J.H. Vlugt, R. Krishna, T.L.M. Maesen, and B. Smit, United force field for alkanes in nanoporous materials, J. Phys. Chem. B 108 (2004), pp. 12301-12313.
-
(2004)
J. Phys. Chem. B
, vol.108
, pp. 12301-12313
-
-
Dubbeldam, D.1
Calero, S.2
Vlugt, T.J.H.3
Krishna, R.4
Maesen, T.L.M.5
Smit, B.6
-
45
-
-
0037069643
-
Influence of framework flexibility on the adsorption properties of hydrocarbons in the zeolite silicalite
-
T.J.H. Vlugt and M. Schenk, Influence of framework flexibility on the adsorption properties of hydrocarbons in the zeolite silicalite, J. Phys. Chem. B 106 (2002), pp. 12757-12763.
-
(2002)
J. Phys. Chem. B
, vol.106
, pp. 12757-12763
-
-
Vlugt, T.J.H.1
Schenk, M.2
-
46
-
-
49249099405
-
Unraveling the argon adsorption processes in MFI-type zeolite
-
E. García-Pérez, J.B. Parra, C.O. Ania, D. Dubbeldam, T.J.H. Vlugt, J.M. Castillo, P.J. Merkling, and S. Calero, Unraveling the argon adsorption processes in MFI-type zeolite, J. Phys. Chem. C 112 (2008), pp. 9976-9979.
-
(2008)
J. Phys. Chem. C
, vol.112
, pp. 9976-9979
-
-
García-Pérez, E.1
Parra, J.B.2
Ania, C.O.3
Dubbeldam, D.4
Vlugt, T.J.H.5
Castillo, J.M.6
Merkling, P.J.7
Calero, S.8
-
47
-
-
37049104105
-
Orthorhombic monoclinic phase-changes in Zsm-5 zeolite silicalite
-
D.G. Hay and H. Jaeger, Orthorhombic monoclinic phase-changes in Zsm-5 zeolite silicalite, J. Chem. Soc. Chem. Commun. 21 (1984), p. 1433.
-
(1984)
J. Chem. Soc. Chem. Commun.
, vol.21
, pp. 1433
-
-
Hay, D.G.1
Jaeger, H.2
-
48
-
-
0024011858
-
Ultra-high-resolution 29Si solid-state MAS NMR investigation of sorbate and temperature-induced changes in the lattice structure of zeolite ZSM-5
-
C.A. Fyfe, H. Strobl, G.T. Kokotailo, G.J. Kennedy, and G.E. Barlow, Ultra-high-resolution 29Si solid-state MAS NMR investigation of sorbate and temperature-induced changes in the lattice structure of zeolite ZSM-5, J. Am. Chem. Soc. 110 (1988), pp. 3373-3380.
-
(1988)
J. Am. Chem. Soc.
, vol.110
, pp. 3373-3380
-
-
Fyfe, C.A.1
Strobl, H.2
Kokotailo, G.T.3
Kennedy, G.J.4
Barlow, G.E.5
-
49
-
-
33845558805
-
ZSM-5-type materials. Factors affecting crystal symmetry
-
E.L. Wu, S.L. Lawton, D.H. Olson, A.C. Rohrman, and G.T. Kokotailo, ZSM-5-type materials. Factors affecting crystal symmetry, J. Phys. Chem. 83 (1979), pp. 2777-2781.
-
(1979)
J. Phys. Chem.
, vol.83
, pp. 2777-2781
-
-
Wu, E.L.1
Lawton, S.L.2
Olson, D.H.3
Rohrman, A.C.4
Kokotailo, G.T.5
-
50
-
-
0027810974
-
Prediction of adsorption of aromatic hydrocarbons in silicalite from grand canonical Monte Carlo simulations with biased insertions
-
R.Q. Snurr, A.T. Bell, and D.R. Theodorou, Prediction of adsorption of aromatic hydrocarbons in silicalite from grand canonical Monte Carlo simulations with biased insertions, J. Phys. Chem. 97 (1993), pp. 13742-13752.
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 13742-13752
-
-
Snurr, R.Q.1
Bell, A.T.2
Theodorou, D.R.3
-
51
-
-
0037118245
-
Transport diffusivities of CH4, CF4, He, Ne, Ar, Xe, and SF6 in silicalite from atomistic simulations
-
A.I. Skoulidas and D.S. Sholl, Transport diffusivities of CH4, CF4, He, Ne, Ar, Xe, and SF6 in silicalite from atomistic simulations, J. Phys. Chem. B 106 (2002), pp. 5058-5067.
-
(2002)
J. Phys. Chem. B
, vol.106
, pp. 5058-5067
-
-
Skoulidas, A.I.1
Sholl, D.S.2
-
52
-
-
0001154813
-
Molecular statistical calculation of gas adsorption by silicalite
-
A.V. Kiselev, A.A. Lopatkin, and A.A. Shulga, Molecular statistical calculation of gas adsorption by silicalite, Zeolites 5 (1985), pp. 261-267.
-
(1985)
Zeolites
, vol.5
, pp. 261-267
-
-
Kiselev, A.V.1
Lopatkin, A.A.2
Shulga, A.A.3
-
53
-
-
0022992221
-
Estimation of the dimensions of micropores in active carbons using the Dubinin-Radushkevich equation
-
B. McEnaney, Estimation of the dimensions of micropores in active carbons using the Dubinin-Radushkevich equation, Carbon 25 (1987), pp. 69-75.
-
(1987)
Carbon
, vol.25
, pp. 69-75
-
-
McEnaney, B.1
-
54
-
-
34648817290
-
Hyper-parallel tempering Monte Carlo simulations of Ar adsorption in new models of microporous nongraphitizing activated carbon: Effect of microporosity
-
406208
-
A.P. Terzyk, S. Furmaniak, P.A. Gauden, P.J.F. Harris, J. Wloch, and P. Kowalczyk, Hyper-parallel tempering Monte Carlo simulations of Ar adsorption in new models of microporous nongraphitizing activated carbon: effect of microporosity, J. Phys. Condens. Matter 19 (2007), 406208.
-
(2007)
J. Phys. Condens. Matter
, vol.19
-
-
Terzyk, A.P.1
Furmaniak, S.2
Gauden, P.A.3
Harris, P.J.F.4
Wloch, J.5
Kowalczyk, P.6
-
55
-
-
35948966359
-
How realistic is the pore size distribution calculated from adsorption isotherms if activated carbon is composed of fullerene-like fragments
-
A.P. Terzyk, S. Furmaniak, P.J.F. Harris, P.A. Gauden, J. Woch, P. Kowalczyk, and G. Rychlicki, How realistic is the pore size distribution calculated from adsorption isotherms if activated carbon is composed of fullerene-like fragments, Phys. Chem. Chem. Phys. 9 (2007), pp. 5919-5927.
-
(2007)
Phys. Chem. Chem. Phys.
, vol.9
, pp. 5919-5927
-
-
Terzyk, A.P.1
Furmaniak, S.2
Harris, P.J.F.3
Gauden, P.A.4
Woch, J.5
Kowalczyk, P.6
Rychlicki, G.7
-
56
-
-
0141572292
-
Pore characterization of carbonaceous materials by DFT and GCMC simulations: A review
-
D.D. Do and H.D. Do, Pore characterization of carbonaceous materials by DFT and GCMC simulations: a review, Adsorp. Sci. Tech. 21 (2003), pp. 389-423.
-
(2003)
Adsorp. Sci. Tech.
, vol.21
, pp. 389-423
-
-
Do, D.D.1
Do, H.D.2
-
57
-
-
0032503599
-
Adsorption of linear and branched alkanes in the zeolite silicalite-1
-
T.J.H. Vlugt, W. Zhu, F. Kapteijn, J.A. Moulijn, B. Smit, and R. Krishna, Adsorption of linear and branched alkanes in the zeolite silicalite-1, J. Am. Chem. Soc. 120 (1998), pp. 5599-5600.
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 5599-5600
-
-
Vlugt, T.J.H.1
Zhu, W.2
Kapteijn, F.3
Moulijn, J.A.4
Smit, B.5
Krishna, R.6
-
58
-
-
0000406168
-
Simulation of alkane adsorption in the aluminophosphate molecular sieve AlPO4-5
-
T. Maris, T.J.H. Vlugt, and B. Smit, Simulation of alkane adsorption in the aluminophosphate molecular sieve AlPO4-5, J. Phys. Chem. B 102 (1998), pp. 7183-7189.
-
(1998)
J. Phys. Chem. B
, vol.102
, pp. 7183-7189
-
-
Maris, T.1
Vlugt, T.J.H.2
Smit, B.3
-
59
-
-
33846035293
-
A computational method to characterize framework aluminum in aluminosilicates
-
E. García-Pérez, D. Dubbeldam, B. Liu, B. Smit, and S. Calero, A computational method to characterize framework aluminum in aluminosilicates, Angew. Chem. Int. Ed. 45 (2006), pp. 276-278.
-
(2006)
Angew. Chem. Int. Ed.
, vol.45
, pp. 276-278
-
-
García-Pérez, E.1
Dubbeldam, B.D.2
Smit, L.B.3
Calero, S.4
-
60
-
-
34547540825
-
Understanding aluminum location and non-framework ions effects on alkane adsorption in aluminosilicates: A molecular simulation study
-
B. Liu, E. García-Pérez, D. Dubbeldam, B. Smit, and S. Calero, Understanding aluminum location and non-framework ions effects on alkane adsorption in aluminosilicates: a molecular simulation study, J. Phys. Chem. C 111 (2007), pp. 10419-10426.
-
(2007)
J. Phys. Chem. C
, vol.111
, pp. 10419-10426
-
-
Liu, B.1
García-Pérez, E.2
Dubbeldam, D.3
Smit, B.4
Calero, S.5
-
61
-
-
33644854557
-
Location of Brønsted sites in mordenite
-
A. Alberti, Location of Brønsted sites in mordenite, Zeolites 19 (1997), pp. 411-415.
-
(1997)
Zeolites
, vol.19
, pp. 411-415
-
-
Alberti, A.1
-
62
-
-
84914191346
-
The crystal structure of mordenite (ptilolite)
-
W.M. Meier, The crystal structure of mordenite (ptilolite), Z. Kristallogr. 115 (1961), pp. 439-450.
-
(1961)
Z. Kristallogr
, vol.115
, pp. 439-450
-
-
Meier, W.M.1
-
63
-
-
0034193316
-
Influence of framework Si/Al ratio on the Na+/mordenite interaction energy
-
M. Pamba, G. Maurin, S. Devautour, J. Vanderschueren, J.C. Giuntini, F.D. Renzo, and F. Hamidi, Influence of framework Si/Al ratio on the Na+/mordenite interaction energy, Phys. Chem. Chem. Phys. 2 (2000), pp. 2027-2031.
-
(2000)
Phys. Chem. Chem. Phys.
, vol.2
, pp. 2027-2031
-
-
Pamba, M.1
Maurin, G.2
Devautour, S.3
Vanderschueren, J.4
Giuntini, J.C.5
Renzo, F.D.6
Hamidi, F.7
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