-
1
-
-
0027113175
-
Simulation of diffusion of small penetrants in polymers
-
P.V.K. Pant, R.H. Boyd. Simulation of diffusion of small penetrants in polymers. Macromolecules, 114, 494 (1992).
-
(1992)
Macromolecules
, vol.114
, pp. 494
-
-
Pant, P.V.K.1
Boyd, R.H.2
-
2
-
-
0027539417
-
Molecular-dynamics simulation of diffusion of small penetrants in polymers
-
P.V.K. Pant, R.H. Boyd. Molecular-dynamics simulation of diffusion of small penetrants in polymers. Macromolecules, 26, 679 (1993).
-
(1993)
Macromolecules
, vol.26
, pp. 679
-
-
Pant, P.V.K.1
Boyd, R.H.2
-
3
-
-
84985516486
-
Permeation of polymers - A computational approach
-
F. Müller-Plathe. Permeation of polymers - a computational approach. Acta Polym., 45, 259 (1994).
-
(1994)
Acta Polym.
, vol.45
, pp. 259
-
-
Müller-Plathe, F.1
-
4
-
-
0013425171
-
Dynamics of small molecules in bulk polymers
-
A.A. Gusev, F. Muller-Plathe, W.F. Van Gunsteren, U.W. Suter. Dynamics of small molecules in bulk polymers. Adv. Potym. Sci., 116, 207 (1994).
-
(1994)
Adv. Potym. Sci.
, vol.116
, pp. 207
-
-
Gusev, A.A.1
Muller-Plathe, F.2
Van Gunsteren, W.F.3
Suter, U.W.4
-
6
-
-
0030267177
-
Molecular modelling simulation of gas transport in amorphous polyimide and poly(amide imide) membrane materials
-
D. Hofmann, J. Ulbritch, D. Fritsch, D. Paul. Molecular modelling simulation of gas transport in amorphous polyimide and poly(amide imide) membrane materials. Polymer, 37, 4773 (1996).
-
(1996)
Polymer
, vol.37
, pp. 4773
-
-
Hofmann, D.1
Ulbritch, J.2
Fritsch, D.3
Paul, D.4
-
7
-
-
0003115011
-
Dynamics of small molecules in a dense polymer matrix: Molecular dynamics studies
-
H. Takeuchi, K. Okazaki. Dynamics of small molecules in a dense polymer matrix: molecular dynamics studies. Mol. Simul., 16, 59 (1996).
-
(1996)
Mol. Simul.
, vol.16
, pp. 59
-
-
Takeuchi, H.1
Okazaki, K.2
-
8
-
-
0031996512
-
Molecular simulation of gas transport in poly[1-(trimethylsilyl)-1- propyne]
-
J.R. Fried, D.K. Goyal. Molecular simulation of gas transport in poly[1-(trimethylsilyl)-1-propyne]. J. Polym. Sci. Part B: Polym. Phys., 36, 519 (1998).
-
(1998)
J. Polym. Sci. Part B: Polym. Phys.
, vol.36
, pp. 519
-
-
Fried, J.R.1
Goyal, D.K.2
-
9
-
-
0032800029
-
Small molecule penetrant diffusion in aromatic polyesters: A molecular dynamics simulation study
-
R.K. Bharadwaj, R.H. Boyd. Small molecule penetrant diffusion in aromatic polyesters: a molecular dynamics simulation study. Polymer, 40, 4229 (1999).
-
(1999)
Polymer
, vol.40
, pp. 4229
-
-
Bharadwaj, R.K.1
Boyd, R.H.2
-
10
-
-
0033653424
-
Detailed-atomistic molecular modeling of small molecule diffusion and solution processes in polymeric membrane materials
-
D. Hofmann, L. Fritz, J. Ulbrich, C. Schepers, M. Bohning. Detailed-atomistic molecular modeling of small molecule diffusion and solution processes in polymeric membrane materials. Macromol. Theory Simul., 9, 293 (2000).
-
(2000)
Macromol. Theory Simul.
, vol.9
, pp. 293
-
-
Hofmann, D.1
Fritz, L.2
Ulbrich, J.3
Schepers, C.4
Bohning, M.5
-
11
-
-
0035828668
-
Experimental and simulation studies on the transport of gaseous diatomic molecules in polycarbonate membranes
-
M. Lopez-Gonzalez, E. Saiz, J. Guzman, E. Riande. Experimental and simulation studies on the transport of gaseous diatomic molecules in polycarbonate membranes. J. Chem. Phys., 115, 6728 (2001).
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 6728
-
-
Lopez-Gonzalez, M.1
Saiz, E.2
Guzman, J.3
Riande, E.4
-
12
-
-
33745609693
-
Molecular simulation of polymers: From concepts to industrial applications
-
F. Muller-Plathe. Molecular simulation of polymers: from concepts to industrial applications. DECHEMA Monographien, 137, 163 (2001).
-
(2001)
DECHEMA Monographien
, vol.137
, pp. 163
-
-
Muller-Plathe, F.1
-
13
-
-
33746327173
-
2 in amorphous poly(ethylene terephthalate) and related alkylene and isomeric polyesters
-
2 in amorphous poly(ethylene terephthalate) and related alkylene and isomeric polyesters. Mol. Simul., 28, 939 (2002).
-
(2002)
Mol. Simul.
, vol.28
, pp. 939
-
-
Shanks, R.1
Pavel, D.2
-
14
-
-
0037206208
-
Diffusion of gases in PEEKs membranes: Molecular dynamics simulations
-
E. Tocci, E. Bellacchio, N. Russo, E. Drioli. Diffusion of gases in PEEKs membranes: molecular dynamics simulations. J. Membr. Sci., 206, 389 (2002).
-
(2002)
J. Membr. Sci.
, vol.206
, pp. 389
-
-
Tocci, E.1
Bellacchio, E.2
Russo, N.3
Drioli, E.4
-
15
-
-
1642578109
-
Molecular modeling of small molecule permeation in polyimides and its correlation to free volume distributions
-
M. Heuchel, D. Hofmann, P. Pullumbi. Molecular modeling of small molecule permeation in polyimides and its correlation to free volume distributions. Macromolecules, 37(1), 201 (2004).
-
(2004)
Macromolecules
, vol.37
, Issue.1
, pp. 201
-
-
Heuchel, M.1
Hofmann, D.2
Pullumbi, P.3
-
16
-
-
2342540459
-
Detailed atomistic simulation of the segmental dynamics and barrier properties of amorphous poly(ethylene terephthalate) and poly (ethylene isophthalate)
-
N.C. Karayiannis, V.G. Mavrantzas, D.N. Theodorou. Detailed atomistic simulation of the segmental dynamics and barrier properties of amorphous poly(ethylene terephthalate) and poly (ethylene isophthalate). Macromolecules, 37, 2978 (2004).
-
(2004)
Macromolecules
, vol.37
, pp. 2978
-
-
Karayiannis, N.C.1
Mavrantzas, V.G.2
Theodorou, D.N.3
-
17
-
-
11444270814
-
Influence of system size in molecular dynamics simulations of gas permeation in glassy polymers
-
S. Neyertz, D. Brown. Influence of system size in molecular dynamics simulations of gas permeation in glassy polymers. Macromolecules, 37, 10109 (2004).
-
(2004)
Macromolecules
, vol.37
, pp. 10109
-
-
Neyertz, S.1
Brown, D.2
-
18
-
-
1342326084
-
Molecular dynamics simulation of structure and thermodynamic properties of poly(dimethylsilamethylene) and hydrocarbon solubility therein: Toward the development of novel membrane materials for hydrocarbon separation
-
V.E. Raptis, I.G. Economou, D.N. Theodorou, J. Petrou, J.H. Petropoulos. Molecular dynamics simulation of structure and thermodynamic properties of poly(dimethylsilamethylene) and hydrocarbon solubility therein: toward the development of novel membrane materials for hydrocarbon separation. Macromolecules, 37, 1102 (2004).
-
(2004)
Macromolecules
, vol.37
, pp. 1102
-
-
Raptis, V.E.1
Economou, I.G.2
Theodorou, D.N.3
Petrou, J.4
Petropoulos, J.H.5
-
19
-
-
0344980685
-
Molecular modeling investigation of free volume distributions in stiff chain polymers with conventional and ultrahigh free volume: Comparison between molecular modeling and positron lifetime studies
-
D. Hofmann, M. Entrialgo-Castano, A. Lerbret, M. Heuchel, Y. Yampolskii. Molecular modeling investigation of free volume distributions in stiff chain polymers with conventional and ultrahigh free volume: comparison between molecular modeling and positron lifetime studies. Macromolecules, 36, 8528 (2003).
-
(2003)
Macromolecules
, vol.36
, pp. 8528
-
-
Hofmann, D.1
Entrialgo-Castano, M.2
Lerbret, A.3
Heuchel, M.4
Yampolskii, Y.5
-
20
-
-
0037066223
-
Free volume distributions in ultrahigh and lower free volume polymers: Comparison between molecular modeling and PALS studies
-
D. Hofmann, M. Heuchel, Y. Yampolskii, V. Khotimskii, V. Shantarovich. Free volume distributions in ultrahigh and lower free volume polymers: comparison between molecular modeling and PALS studies. Macromolecules, 35, 2129 (2002).
-
(2002)
Macromolecules
, vol.35
, pp. 2129
-
-
Hofmann, D.1
Heuchel, M.2
Yampolskii, Y.3
Khotimskii, V.4
Shantarovich, V.5
-
21
-
-
0032714648
-
Basis of permeability/selectivity tradeoff relations in polymeric gas separation membrane
-
B.D. Freeman. Basis of permeability/selectivity tradeoff relations in polymeric gas separation membrane. Am. Chem. Soc., 32, 375 (1999).
-
(1999)
Am. Chem. Soc.
, vol.32
, pp. 375
-
-
Freeman, B.D.1
-
22
-
-
0037496644
-
Separation of gas mixtures with polymer membranes a brief overview
-
S.A. Stern, W.J. Koros. Separation of gas mixtures with polymer membranes a brief overview. Chim. Nouv., 18, 3201 (2000).
-
(2000)
Chim. Nouv.
, vol.18
, pp. 3201
-
-
Stern, S.A.1
Koros, W.J.2
-
23
-
-
0028539478
-
High performance polymers for membrane separation
-
L.M. Robeson, W.F. Burgoyne, M. Langsam, A.C. Savoca, C.F. Tien. High performance polymers for membrane separation. Polymer, 35, 4970 (1994).
-
(1994)
Polymer
, vol.35
, pp. 4970
-
-
Robeson, L.M.1
Burgoyne, W.F.2
Langsam, M.3
Savoca, A.C.4
Tien, C.F.5
-
24
-
-
33745624471
-
Structure/property studies on polymeric materials
-
Abstracts of Papers, New Orleans, LA, United States, March 23-27
-
L.M. Robeson. Structure/property studies on polymeric materials. Abstracts of Papers, 225th ACS National Meeting, New Orleans, LA, United States, March 23-27 (2003).
-
(2003)
225th ACS National Meeting
-
-
Robeson, L.M.1
-
25
-
-
0028539478
-
High performance polymers for membrane separation
-
L.M. Robeson, W.F. Burgoyne, M. Langsam, A.C. Savoca, C.F. Tien. High performance polymers for membrane separation. Polymer, 35, 4970 (1994).
-
(1994)
Polymer
, vol.35
, pp. 4970
-
-
Robeson, L.M.1
Burgoyne, W.F.2
Langsam, M.3
Savoca, A.C.4
Tien, C.F.5
-
26
-
-
0028501787
-
Polymers for gas separations: The next decade
-
S.A. Stern. Polymers for gas separations: the next decade. J. Membr. Sci., 94, 1 (1994).
-
(1994)
J. Membr. Sci.
, vol.94
, pp. 1
-
-
Stern, S.A.1
-
27
-
-
0031585695
-
Tailoring mixed matrix composite membranes for gas separations
-
C.M. Zimmerman, A. Singh, W.J. Koros. Tailoring mixed matrix composite membranes for gas separations. J. Membr. Sci., 137, 145 (1997).
-
(1997)
J. Membr. Sci.
, vol.137
, pp. 145
-
-
Zimmerman, C.M.1
Singh, A.2
Koros, W.J.3
-
31
-
-
33745596028
-
-
Milan, Italy
-
I.C. Roman, R.W. Ubersax, G.K. Fleming. New Directions in Membranes for Gas Separation in Chimica e I'Industria, Milan, Italy, 83, pp. e1/1 (2001).
-
(2001)
New Directions in Membranes for Gas Separation in Chimica e I'Industria
, vol.83
-
-
Roman, I.C.1
Ubersax, R.W.2
Fleming, G.K.3
-
32
-
-
0031532858
-
Polyarylate gas separation membranes
-
D.R. Paul, M.R. Pixton. Polyarylate gas separation membranes. Macromol. Symp., 118, 401 (1997).
-
(1997)
Macromol. Symp.
, vol.118
, pp. 401
-
-
Paul, D.R.1
Pixton, M.R.2
-
33
-
-
33745590324
-
-
Synthesis of new type polyether ether ketone with phtalein lateral group. Chinese Patent
-
H.C. Zhang, T.L. Chen, Y.G. Yuan. Synthesis of new type polyether ether ketone with phtalein lateral group. Chinese Patent (1987).
-
(1987)
-
-
Zhang, H.C.1
Chen, T.L.2
Yuan, Y.G.3
-
34
-
-
33745607968
-
-
Single-step process for synthesizing polyarylethersulfones with peptide side chain. Chinese Patent
-
K. Liu, H.C. Zhang, T.L. Chen, Y.G. Yuan. Single-step process for synthesizing polyarylethersulfones with peptide side chain. Chinese Patent (1986).
-
(1986)
-
-
Liu, K.1
Zhang, H.C.2
Chen, T.L.3
Yuan, Y.G.4
-
35
-
-
0029657127
-
Transport parameters of carbon dioxide in PEEK membr
-
F. Lufrano, E. Drioli, G. Golemme, L. Di Giorgio. Transport parameters of carbon dioxide in PEEK membr. J. Membr. Sci., 113, 121 (1996).
-
(1996)
J. Membr. Sci.
, vol.113
, pp. 121
-
-
Lufrano, F.1
Drioli, E.2
Golemme, G.3
Di Giorgio, L.4
-
36
-
-
1542787213
-
Preparation of asymmetric PEEKWC flat membranes with different microstructures by wet phase inversion
-
M.G. Buonomenna, A. Figoli, J.C. Jansen, E. Drioli. Preparation of asymmetric PEEKWC flat membranes with different microstructures by wet phase inversion. J. Appl. Polym. Sci., 92, 576 (2004).
-
(2004)
J. Appl. Polym. Sci.
, vol.92
, pp. 576
-
-
Buonomenna, M.G.1
Figoli, A.2
Jansen, J.C.3
Drioli, E.4
-
37
-
-
0346735357
-
PEEKWC ultrafiltration hollow-fiber membranes: Preparation, morphology, and transport properties
-
F. Tasselli, J.C. Jansen, E. Drioli. PEEKWC ultrafiltration hollow-fiber membranes: preparation, morphology, and transport properties. J. Appl. Polym. Sci., 91, 841 (2004).
-
(2004)
J. Appl. Polym. Sci.
, vol.91
, pp. 841
-
-
Tasselli, F.1
Jansen, J.C.2
Drioli, E.3
-
38
-
-
18544387791
-
High flux asymmetric gas separation membranes of modified poly(ether ether ketone) prepared by the dry phase inversion technique
-
J.C. Jansen, M. Macchione, E. Drioli. High flux asymmetric gas separation membranes of modified poly(ether ether ketone) prepared by the dry phase inversion technique. J. Membr. Sci., 255, 167 (2005).
-
(2005)
J. Membr. Sci.
, vol.255
, pp. 167
-
-
Jansen, J.C.1
Macchione, M.2
Drioli, E.3
-
39
-
-
33745634547
-
Molecular simulations of gas transport properties of alkylated PEEK membrane
-
in press
-
E. Tocci, M.P. Perrone, N. Russo, E. Drioli. Molecular simulations of gas transport properties of alkylated PEEK membrane. J. Mol. Graph. Model., in press (2005).
-
(2005)
J. Mol. Graph. Model.
-
-
Tocci, E.1
Perrone, M.P.2
Russo, N.3
Drioli, E.4
-
40
-
-
0033774604
-
A molecular simulation study on gas diffusion in a dense poly(ether-etherketone) membr
-
E. Tocci, D. Hofmann, D. Paul, N. Russo, E. Drioli. A molecular simulation study on gas diffusion in a dense poly(ether-etherketone) membr. Polymer, 42, 521 (2001).
-
(2001)
Polymer
, vol.42
, pp. 521
-
-
Tocci, E.1
Hofmann, D.2
Paul, D.3
Russo, N.4
Drioli, E.5
-
41
-
-
0000821714
-
Detailed molecular structure of a vinyl polymer glass
-
D.N. Theodorou, U.W. Suter. Detailed molecular structure of a vinyl polymer glass. Macromolecules, 18, 1467 (1985).
-
(1985)
Macromolecules
, vol.18
, pp. 1467
-
-
Theodorou, D.N.1
Suter, U.W.2
-
42
-
-
0034228108
-
Gas transport properties of novel cardo poly(aryl ether ketone)s with pendant alkyl groups
-
Z. Wang, T. Chen, J. Xu. Gas transport properties of novel cardo poly(aryl ether ketone)s with pendant alkyl groups. Macromolecules, 33, 5672 (2000).
-
(2000)
Macromolecules
, vol.33
, pp. 5672
-
-
Wang, Z.1
Chen, T.2
Xu, J.3
-
44
-
-
0031275824
-
Computer simulations of Poly(ethylene oxide): FF, PVT diagram and cyclization behavior
-
D. Rigby, H. Sun, B.E. Eichinger. Computer simulations of Poly(ethylene oxide): FF, PVT diagram and cyclization behavior. Polym. Int., 44, 311 (1997).
-
(1997)
Polym. Int.
, vol.44
, pp. 311
-
-
Rigby, D.1
Sun, H.2
Eichinger, B.E.3
-
46
-
-
0000614977
-
Computer simulation of self-avoiding walks: Testing the scanning method
-
H.J. Meriovitch. Computer simulation of self-avoiding walks: testing the scanning method. J. Chem. Phys., 79, 502 (1983).
-
(1983)
J. Chem. Phys.
, vol.79
, pp. 502
-
-
Meriovitch, H.J.1
-
48
-
-
0000812758
-
Molecular dynamics simulation of the transport of small molecules across a polymer membrane
-
R.M. Sok, H.J.C. Berendsen, W.F. van Gunstern. Molecular dynamics simulation of the transport of small molecules across a polymer membrane. J. Chem. Phys., 96, 4699 (1992).
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 4699
-
-
Sok, R.M.1
Berendsen, H.J.C.2
Van Gunstern, W.F.3
-
49
-
-
0028501787
-
Polymers for gas separations: The next decade
-
S.A. Stern. Polymers for gas separations: the next decade. J. Membr. Sci., 94, 1 (1994).
-
(1994)
J. Membr. Sci.
, vol.94
, pp. 1
-
-
Stern, S.A.1
-
51
-
-
36449003230
-
Dynamics of small molecules in dense polymers subject to thermal motion
-
A.A. Gusev, U.W. Suter. Dynamics of small molecules in dense polymers subject to thermal motion. J. Chem. Phys., 99, 2228 (1993).
-
(1993)
J. Chem. Phys.
, vol.99
, pp. 2228
-
-
Gusev, A.A.1
Suter, U.W.2
-
52
-
-
36449003448
-
Dynamics of light gases in rigid matrices of dense polymers
-
A.A. Gusev, S. Arizzi, U.W. Suter. Dynamics of light gases in rigid matrices of dense polymers. J. Chem. Phys., 99, 2221 (1993).
-
(1993)
J. Chem. Phys.
, vol.99
, pp. 2221
-
-
Gusev, A.A.1
Arizzi, S.2
Suter, U.W.3
-
53
-
-
0012731790
-
Atomistic modeling of mechanical properties of polymeric glasses
-
D.N. Theodorou, U.W. Suter. Atomistic modeling of mechanical properties of polymeric glasses. Macromolecules, 19, 139 (1986).
-
(1986)
Macromolecules
, vol.19
, pp. 139
-
-
Theodorou, D.N.1
Suter, U.W.2
-
55
-
-
15344349617
-
Polysiloxanes: Ab Initio force field and structural, conformational and thermophysical properties
-
H. Sun, D. Rigby. Polysiloxanes: Ab Initio force field and structural, conformational and thermophysical properties. Spectrochim. Acta A, 153, 1301 (1997).
-
(1997)
Spectrochim. Acta A
, vol.153
, pp. 1301
-
-
Sun, H.1
Rigby, D.2
-
56
-
-
36749115010
-
The role of long ranged forces in determining the structure and properties of liquid water
-
T.A. Andrea, W.C. Swope, H.C. Andersen. The role of long ranged forces in determining the structure and properties of liquid water. J. Chem. Phys., 79, 4576 (1983).
-
(1983)
J. Chem. Phys.
, vol.79
, pp. 4576
-
-
Andrea, T.A.1
Swope, W.C.2
Andersen, H.C.3
-
57
-
-
33750587438
-
Molecular dynamics with coupling to an external bath
-
H.J.C. Berendsen, J.P.M. Postma, W.F. Van Gunsteren, A. DiNola, J.R. Haak. Molecular dynamics with coupling to an external bath. J. Chem. Phys., 81, 3684 (1984).
-
(1984)
J. Chem. Phys.
, vol.81
, pp. 3684
-
-
Berendsen, H.J.C.1
Postma, J.P.M.2
Van Gunsteren, W.F.3
DiNola, A.4
Haak, J.R.5
|