-
2
-
-
0029752927
-
Activated carbon for gas separation and storage
-
S. Sircar, T.C. Golden, M.B. Rao. Activated carbon for gas separation and storage. Carbon, 34, 1 (1996).
-
(1996)
Carbon
, vol.34
, pp. 1
-
-
Sircar, S.1
Golden, T.C.2
Rao, M.B.3
-
4
-
-
81855173996
-
Molecular models of porous carbons
-
T.J. Bandosz, M.J. Biggs, K.E. Gubbins, Y. Hattori, T. Liyama, K. Kaneko, J.P. Pikunic, K.T. Thomson. Molecular models of porous carbons. Chem. Phys. Carbon, 8, 41 (2003).
-
(2003)
Chem. Phys. Carbon
, vol.8
, pp. 41
-
-
Bandosz, T.J.1
Biggs, M.J.2
Gubbins, K.E.3
Hattori, Y.4
Liyama, T.5
Kaneko, K.6
Pikunic, J.P.7
Thomson, K.T.8
-
5
-
-
0004215006
-
Phase separation in confined systems
-
L.D. Gelb, K.E. Gubbins, R. Radhakrishnan, M. Sliwinska-Bartkowiak. Phase separation in confined systems. Rep. Prog. Phys., 62, 1573 (1999).
-
(1999)
Rep. Prog. Phys.
, vol.62
, pp. 1573
-
-
Gelb, L.D.1
Gubbins, K.E.2
Radhakrishnan, R.3
Sliwinska-Bartkowiak, M.4
-
6
-
-
31644443306
-
Effects of confinement on freezing and melting
-
C. Alba-Simionesco, B. Coasne, G. Dosseh, G. Dudziak, K.E. Gubbins, R. Radhakrishnan, M. Sliwinska-Bartkowiak. Effects of confinement on freezing and melting. J. Phys.: Condens, Matter, 18, R15 (2006).
-
(2006)
J. Phys.: Condens, Matter
, vol.18
-
-
Alba-Simionesco, C.1
Coasne, B.2
Dosseh, G.3
Dudziak, G.4
Gubbins, K.E.5
Radhakrishnan, R.6
Sliwinska-Bartkowiak, M.7
-
7
-
-
0023847035
-
Adsorption and structure in microporous carbons
-
B. McEnaney. Adsorption and structure in microporous carbons. Carbon, 26, 267 (1988).
-
(1988)
Carbon
, vol.26
, pp. 267
-
-
McEnaney, B.1
-
8
-
-
0004218149
-
-
Chapter no 3, Marcel Dekker, New York
-
H. March, P.L. Jr. Walker, Chemistry and Physics of Carbon, 15, Chapter no 3, Marcel Dekker, New York (1979).
-
(1979)
Chemistry and Physics of Carbon
, vol.15
-
-
March, H.1
Walker Jr., P.L.2
-
10
-
-
0036353244
-
Pore structure and fractal characteristics of activated carbon fibers characterized by using HRTEM
-
Z.H. Huang, F. Kang, W. Huang, J.B. Yang, K.M. Liang, M.L. Cui, Z. Cheng. Pore structure and fractal characteristics of activated carbon fibers characterized by using HRTEM. J. Coll. and Interf. Sci., 249, 453 (2002).
-
(2002)
J. Coll. and Interf. Sci.
, vol.249
, pp. 453
-
-
Huang, Z.H.1
Kang, F.2
Huang, W.3
Yang, J.B.4
Liang, K.M.5
Cui, M.L.6
Cheng, Z.7
-
11
-
-
0141957163
-
Structural modeling of porous carbons: Constrained reverse Monte Carlo method
-
J. Pikunic, C. Clinard, N. Cohaut, K.E. Gubbins, J.M. Guet. R.J.-M. Pellenq, I. Rannou, J.-N. Rouzaud. Structural modeling of porous carbons: constrained reverse Monte Carlo method. Langmuir, 19, 8565 (2003).
-
(2003)
Langmuir
, vol.19
, pp. 8565
-
-
Pikunic, J.1
Clinard, C.2
Cohaut, N.3
Gubbins, K.E.4
Guet, J.M.5
Pellenq, R.J.-M.6
Rannou, I.7
Rouzaud, J.-N.8
-
12
-
-
25144484523
-
The effect of pore connectivity on water adsorption isotherms in non-activated graphitic nanopores
-
A. Striolo, K.E. Gubbins, A.A. Chialvo, P.T. Cummings. The effect of pore connectivity on water adsorption isotherms in non-activated graphitic nanopores. Adsorption, 11, 337 (2005).
-
(2005)
Adsorption
, vol.11
, pp. 337
-
-
Striolo, A.1
Gubbins, K.E.2
Chialvo, A.A.3
Cummings, P.T.4
-
13
-
-
2942674964
-
Comparison between adsorption in pores of a simple geometry and realistic models of porous materials
-
B. Coasne, J.P. Pikunic, R.J.-M. Pellenq, K.E. Gubbins. Comparison between adsorption in pores of a simple geometry and realistic models of porous materials. Proc. Mat. Res. Soc., P 8.5 (2003).
-
(2003)
Proc. Mat. Res. Soc.
, vol.P 8.5
-
-
Coasne, B.1
Pikunic, J.P.2
Pellenq, R.J.-M.3
Gubbins, K.E.4
-
14
-
-
3142666895
-
Molecular simulation evidence for solid-like adsorbate in complex carbonaceous micropore structures
-
M.J. Biggs, A. Buts, D. Williamson. Molecular simulation evidence for solid-like adsorbate in complex carbonaceous micropore structures. Langmuir, 20, 5786 (2004).
-
(2004)
Langmuir
, vol.20
, pp. 5786
-
-
Biggs, M.J.1
Buts, A.2
Williamson, D.3
-
15
-
-
25144509001
-
Effects of activation on the structure and adsorption properties of a nanoporous carbon using molecular simulation
-
S.K. Jain, J.P. Pikunic, R.J.-M. Pellenq, K.E. Gubbins. Effects of activation on the structure and adsorption properties of a nanoporous carbon using molecular simulation. Adsorption, 11, 355 (2005).
-
(2005)
Adsorption
, vol.11
, pp. 355
-
-
Jain, S.K.1
Pikunic, J.P.2
Pellenq, R.J.-M.3
Gubbins, K.E.4
-
16
-
-
18844405710
-
Argon and nitrogen adsorption in disordered nanoporous carbons: Simulation and experiment
-
J.P. Pikunic, P. Llewellyn, R.J.-M. Pellenq, K.E. Gubbins. Argon and nitrogen adsorption in disordered nanoporous carbons: simulation and experiment. Langmuir, 21, 4431 (2005).
-
(2005)
Langmuir
, vol.21
, pp. 4431
-
-
Pikunic, J.P.1
Llewellyn, P.2
Pellenq, R.J.-M.3
Gubbins, K.E.4
-
17
-
-
28444478890
-
Reverse Monte Carlo simulation: A new technique for the determination of disordered structures
-
R.L. McGreevy, L. Pusztai. Reverse Monte Carlo simulation: a new technique for the determination of disordered structures. Mol. Sim., 1, 359 (1988).
-
(1988)
Mol. Sim.
, vol.1
, pp. 359
-
-
McGreevy, R.L.1
Pusztai, L.2
-
18
-
-
0034205461
-
Modeling structural morphology of microporous carbons by reverse Monte Carlo
-
K.T. Thomson, K.E. Gubbins. Modeling structural morphology of microporous carbons by reverse Monte Carlo. Langmuir, 16, 5761 (2000).
-
(2000)
Langmuir
, vol.16
, pp. 5761
-
-
Thomson, K.T.1
Gubbins, K.E.2
-
19
-
-
33748759755
-
Stability study of porous carbon structures obtained from reverse Monte Carlo using tight binding and bond order Hamiltonians
-
in press
-
S.K. Jain, J. Fuhr, R.J.-M. Pellenq, J.P. Pikunic, C. Bichara, K.E. Gubbins. Stability study of porous carbon structures obtained from reverse Monte Carlo using tight binding and bond order Hamiltonians. Stud. Surf. Sci. Catal., in press (2005).
-
(2005)
Stud. Surf. Sci. Catal.
-
-
Jain, S.K.1
Fuhr, J.2
Pellenq, R.J.-M.3
Pikunic, J.P.4
Bichara, C.5
Gubbins, K.E.6
-
20
-
-
36049024999
-
The physical interaction of gases with crystalline solids
-
W.A. Steele. The physical interaction of gases with crystalline solids. Surf. Sci., 36, 317 (1973).
-
(1973)
Surf. Sci.
, vol.36
, pp. 317
-
-
Steele, W.A.1
-
22
-
-
0005970764
-
Calculation on a corresponding states basis of the volume change on mixing simple liquids
-
W.B. Streett, L.A.K. Staveley. Calculation on a corresponding states basis of the volume change on mixing simple liquids. J. Chem. Phys., 47, 2449 (1967).
-
(1967)
J. Chem. Phys.
, vol.47
, pp. 2449
-
-
Streett, W.B.1
Staveley, L.A.K.2
-
24
-
-
84951381495
-
Comment on reverse Monte Carlo simulation
-
R. Evans. Comment on reverse Monte Carlo simulation. Mol. Sim., 4, 409 (1990).
-
(1990)
Mol. Sim.
, vol.4
, pp. 409
-
-
Evans, R.1
-
28
-
-
33748770283
-
Direct evaluation of phase coexistence by molecular simulation via integration along the saturation line
-
D.A. Kofke. Direct evaluation of phase coexistence by molecular simulation via integration along the saturation line. J. Chem. Phys., 105, 405 (1993).
-
(1993)
J. Chem. Phys.
, vol.105
, pp. 405
-
-
Kofke, D.A.1
-
29
-
-
0001516078
-
Grand ensemble Monte Carlo simulation of simple molecules adsorbed in silicalite-I zeolite
-
R.J.-M. Pellenq, D. Nicholson. Grand ensemble Monte Carlo simulation of simple molecules adsorbed in silicalite-I zeolite. Langmuir, 11, 1626 (1995).
-
(1995)
Langmuir
, vol.11
, pp. 1626
-
-
Pellenq, R.J.-M.1
Nicholson, D.2
-
30
-
-
4444314429
-
A Grand Canonical Monte Carlo study of capillary condensation in mesoporous media: Effect of the pore morphology and topology
-
B. Coasne, R.J.-M. Pellenq. A Grand Canonical Monte Carlo study of capillary condensation in mesoporous media: effect of the pore morphology and topology. J. Chem. Phys., 121, 3767 (2004).
-
(2004)
J. Chem. Phys.
, vol.121
, pp. 3767
-
-
Coasne, B.1
Pellenq, R.J.-M.2
-
31
-
-
4644288416
-
A Grand Canonical Monte Carlo study of adsorption and capillary condensation phenomena in nanopores of various morphologies and topologies: Testing the BET and BJH characterization methods
-
B. Coasne, K.E. Gubbins, R.J.-M. Pellenq. A Grand Canonical Monte Carlo study of adsorption and capillary condensation phenomena in nanopores of various morphologies and topologies: testing the BET and BJH characterization methods. Part. Part. Syst. Char., 21, 149 (2004).
-
(2004)
Part. Part. Syst. Char.
, vol.21
, pp. 149
-
-
Coasne, B.1
Gubbins, K.E.2
Pellenq, R.J.-M.3
-
32
-
-
0032049446
-
Characterization of porous glasses: Simulation models, adsorption isotherms, and the Brunauer-Emmett-Teller analysis method
-
L.D. Gelb, K.E. Gubbins. Characterization of porous glasses: simulation models, adsorption isotherms, and the Brunauer-Emmett-Teller analysis method. Langmuir, 14, 2097 (1998).
-
(1998)
Langmuir
, vol.14
, pp. 2097
-
-
Gelb, L.D.1
Gubbins, K.E.2
-
33
-
-
0037055361
-
Capillary condensation in a disordered mesoporous medium: A Grand Canonical Monte Carlo study
-
R.J.-M. Pellenq, P.E. Levitz. Capillary condensation in a disordered mesoporous medium: a Grand Canonical Monte Carlo study. Mol. Sim., 100, 2059 (2002).
-
(2002)
Mol. Sim.
, vol.100
, pp. 2059
-
-
Pellenq, R.J.-M.1
Levitz, P.E.2
-
34
-
-
0037106317
-
The structure of frozen phases in slit nanopores: A Grand Canonical Monte Carlo study
-
K.G. Ayappa, C. Ghatak. The structure of frozen phases in slit nanopores: a Grand Canonical Monte Carlo study. J. Chem. Phys., 117, 5373 (2002).
-
(2002)
J. Chem. Phys.
, vol.117
, pp. 5373
-
-
Ayappa, K.G.1
Ghatak, C.2
-
35
-
-
22944448035
-
Solid/solid phase transitions in confined thin films: A zero temperature approach
-
H. Bock, K.E. Gubbins, K.G. Ayappa. Solid/solid phase transitions in confined thin films: a zero temperature approach. J. Chem. Phys., 122, 094709 (2005).
-
(2005)
J. Chem. Phys.
, vol.122
, pp. 094709
-
-
Bock, H.1
Gubbins, K.E.2
Ayappa, K.G.3
-
36
-
-
0037460260
-
On the structure of Lennard-Jones fluids confined in crystalline slitlike pores
-
A. Patrykiejew, L. Salamacha, S. Sokolowski. On the structure of Lennard-Jones fluids confined in crystalline slitlike pores. J. Chem. Phys., 118, 1891 (2003).
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 1891
-
-
Patrykiejew, A.1
Salamacha, L.2
Sokolowski, S.3
-
37
-
-
0042011698
-
Molecular dynamics simulations of crystallization under confinement at triple point conditions
-
L.G. Camara, F. Bresme. Molecular dynamics simulations of crystallization under confinement at triple point conditions. J. Chem. Phys., 119, 2792 (2003).
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 2792
-
-
Camara, L.G.1
Bresme, F.2
-
38
-
-
0141974164
-
Refined method of potential enhancement in the equilibria characterization of activated carbon. Comparison with GCMC and DFT
-
D.D. Do, H.D. Do. Refined method of potential enhancement in the equilibria characterization of activated carbon. Comparison with GCMC and DFT. Langmuir, 19, 8302 (2003).
-
(2003)
Langmuir
, vol.19
, pp. 8302
-
-
Do, D.D.1
Do, H.D.2
-
39
-
-
0001188262
-
Free energy studies of freezing in slit pores: An order parameter approach using Monte Carlo simulation
-
R. Radhakrishnan, K.E. Gubbins. Free energy studies of freezing in slit pores: an order parameter approach using Monte Carlo simulation. Mol. Phys., 96, 1249 (1999).
-
(1999)
Mol. Phys.
, vol.96
, pp. 1249
-
-
Radhakrishnan, R.1
Gubbins, K.E.2
-
41
-
-
9744246011
-
Freezing and melting of binary mixtures confined in a nanopore
-
B. Coasne, J. Czwartos, K.E. Gubbins, F.R. Hung, M. Sliwinska-Bartkowiak. Freezing and melting of binary mixtures confined in a nanopore. Mol. Phys., 102, 2149 (2004).
-
(2004)
Mol. Phys.
, vol.102
, pp. 2149
-
-
Coasne, B.1
Czwartos, J.2
Gubbins, K.E.3
Hung, F.R.4
Sliwinska-Bartkowiak, M.5
-
42
-
-
25144509131
-
Freezing of mixtures confined in a slit nanopore
-
B. Coasne, J. Czwartos, K.E. Gubbins, F.R. Hung, M. Sliwinska-Bartkowiak. Freezing of mixtures confined in a slit nanopore. Adsorption, 11, 301 (2005).
-
(2005)
Adsorption
, vol.11
, pp. 301
-
-
Coasne, B.1
Czwartos, J.2
Gubbins, K.E.3
Hung, F.R.4
Sliwinska-Bartkowiak, M.5
-
43
-
-
20844441126
-
Molecular modeling of freezing of simple fluids confined within carbon nanotubes
-
F.R. Hung, B. Coasne, K.E. Gubbins, E.E. Santiso, F.R. Siperstein, M. Sliwinska-Bartkowiak. Molecular modeling of freezing of simple fluids confined within carbon nanotubes. J. Chem. Phys., 122, 144706 (2005).
-
(2005)
J. Chem. Phys.
, vol.122
, pp. 144706
-
-
Hung, F.R.1
Coasne, B.2
Gubbins, K.E.3
Santiso, E.E.4
Siperstein, F.R.5
Sliwinska-Bartkowiak, M.6
-
45
-
-
4243366131
-
Dislocation-mediated melting in two dimensions
-
D.R. Nelson, B.I. Halperin Dislocation-mediated melting in two dimensions, Phys. Rev. B 19, 2457 (1979).
-
(1979)
Phys. Rev. B
, vol.19
, pp. 2457
-
-
Nelson, D.R.1
Halperin, B.I.2
-
46
-
-
35949014660
-
Two-dimensional melting
-
K.J. Strandburg. Two-dimensional melting. Rev. Mod. Phys., 60, 161 (1988).
-
(1988)
Rev. Mod. Phys.
, vol.60
, pp. 161
-
-
Strandburg, K.J.1
-
47
-
-
0000465530
-
Freezing of simple fluids in microporous activated carbon fibers: Comparison of simulation and experiment
-
R. Radhakrishnan, K.E. Gubbins, A. Watanabe, K. Kaneko. Freezing of simple fluids in microporous activated carbon fibers: comparison of simulation and experiment. J. Chem. Phys., 111, 9058 (1999).
-
(1999)
J. Chem. Phys.
, vol.111
, pp. 9058
-
-
Radhakrishnan, R.1
Gubbins, K.E.2
Watanabe, A.3
Kaneko, K.4
-
48
-
-
17444412625
-
Numerical calculation of the rate of crystal nucleation in a Lennard-Jones system at moderate undercooling
-
P.R. Ten Wolde, M.J. Ruiz-Montero, D. Frenkel. Numerical calculation of the rate of crystal nucleation in a Lennard-Jones system at moderate undercooling. J. Chem. Phys., 104, 9932 (1996).
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 9932
-
-
Ten Wolde, P.R.1
Ruiz-Montero, M.J.2
Frenkel, D.3
-
49
-
-
0035127710
-
Melting/freezing behavior of a fluid confined in porous glasses and MCM-41: Dielectric spectroscopy and molecular simulation
-
M. Sliwinska-Bartkowiak, G. Dudziak, R. Sikorski, R. Gras, R. Radhakrishnan, K.E. Gubbins. Melting/freezing behavior of a fluid confined in porous glasses and MCM-41: dielectric spectroscopy and molecular simulation. J. Chem. Phys., 114, 950 (2001).
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 950
-
-
Sliwinska-Bartkowiak, M.1
Dudziak, G.2
Sikorski, R.3
Gras, R.4
Radhakrishnan, R.5
Gubbins, K.E.6
-
50
-
-
0037723933
-
X-ray study of freezing and melting of water confined within SBA-15
-
K. Morishige, H. Iwasaki. X-ray study of freezing and melting of water confined within SBA-15. Langmuir, 19, 2808 (2003).
-
(2003)
Langmuir
, vol.19
, pp. 2808
-
-
Morishige, K.1
Iwasaki, H.2
-
51
-
-
3042842352
-
Freezing/melting behaviour within carbon nanotubes
-
F.R. Hung, G. Dudziak, M. Sliwinska-Bartkowiak, K.E. Gubbins. Freezing/melting behaviour within carbon nanotubes. Mol. Phys., 102, 223 (2004).
-
(2004)
Mol. Phys.
, vol.102
, pp. 223
-
-
Hung, F.R.1
Dudziak, G.2
Sliwinska-Bartkowiak, M.3
Gubbins, K.E.4
-
52
-
-
33748769201
-
Freezing and melting in silica pores of various morphologies
-
to be submitted
-
F.R. Hung, B. Coasne, K.E. Gubbins. Freezing and melting in silica pores of various morphologies. J. Chem. Phys., to be submitted (2006).
-
(2006)
J. Chem. Phys.
-
-
Hung, F.R.1
Coasne, B.2
Gubbins, K.E.3
|