-
2
-
-
37149019803
-
-
John Wiley & Sons Ltd., Chichester, U.K.
-
Yampolskii Y., Pinnau I., Freeman B.D. Materials Science of Membranes 2006, John Wiley & Sons Ltd., Chichester, U.K.
-
(2006)
Materials Science of Membranes
-
-
Yampolskii, Y.1
Pinnau, I.2
Freeman, B.D.3
-
3
-
-
0016893601
-
The solution-diffusion model for swollen membranes
-
Paul D.R. The solution-diffusion model for swollen membranes. Sep. Purif. Rev. 1976, 5:33-50.
-
(1976)
Sep. Purif. Rev.
, vol.5
, pp. 33-50
-
-
Paul, D.R.1
-
4
-
-
0034633001
-
Pushing the limits on possibilities for large scale gas separation: which strategies?
-
Koros W.J., Mahajan R. Pushing the limits on possibilities for large scale gas separation: which strategies?. J. Membr. Sci. 2000, 175:181-196.
-
(2000)
J. Membr. Sci.
, vol.175
, pp. 181-196
-
-
Koros, W.J.1
Mahajan, R.2
-
5
-
-
0024714436
-
Structure/permeability relationships of polyimide membranes. Applications to the separation of gas mixtures
-
Stern S.A., Mi Y., Yamamoto H. Structure/permeability relationships of polyimide membranes. Applications to the separation of gas mixtures. J. Polym. Sci. Part B Polym. Phys. 1989, 27:1887-1909.
-
(1989)
J. Polym. Sci. Part B Polym. Phys.
, vol.27
, pp. 1887-1909
-
-
Stern, S.A.1
Mi, Y.2
Yamamoto, H.3
-
6
-
-
0025197087
-
Isomeric polyimides based on fluorinated dianhydrides and diamines for gas separation applications
-
Coleman M.R., Koros W.J. Isomeric polyimides based on fluorinated dianhydrides and diamines for gas separation applications. J. Membr. Sci. 1990, 50:285-297.
-
(1990)
J. Membr. Sci.
, vol.50
, pp. 285-297
-
-
Coleman, M.R.1
Koros, W.J.2
-
7
-
-
0000534679
-
Permeability and permselectivity of gases in fluorinated and non-fluorinated polyimides
-
Tanaka K., Kita H., Okano M., Okamoto K.-I. Permeability and permselectivity of gases in fluorinated and non-fluorinated polyimides. Polymer 1992, 33:585-592.
-
(1992)
Polymer
, vol.33
, pp. 585-592
-
-
Tanaka, K.1
Kita, H.2
Okano, M.3
Okamoto, K.-I.4
-
8
-
-
0027607451
-
Gas permeation of aromatic polyimides. I. Relationship between gas permeabilities and dielectric constants
-
Matsumoto K., Xu P., Nishikimi T. Gas permeation of aromatic polyimides. I. Relationship between gas permeabilities and dielectric constants. J. Membr. Sci. 1993, 81:15-22.
-
(1993)
J. Membr. Sci.
, vol.81
, pp. 15-22
-
-
Matsumoto, K.1
Xu, P.2
Nishikimi, T.3
-
9
-
-
0027607420
-
Gas permeation of aromatic polyimides. II. Influence of chemical structure
-
Matsumoto K., Xu P. Gas permeation of aromatic polyimides. II. Influence of chemical structure. J. Membr. Sci. 1993, 81:23-30.
-
(1993)
J. Membr. Sci.
, vol.81
, pp. 23-30
-
-
Matsumoto, K.1
Xu, P.2
-
10
-
-
0028484316
-
The transport properties of polyimide isomers containing hexafluoroisopropylidene in the diamine residue
-
Coleman M.R., Koros W.J. The transport properties of polyimide isomers containing hexafluoroisopropylidene in the diamine residue. J. Polym. Sci. Part B Polym. Phys. 1994, 32:1915-1926.
-
(1994)
J. Polym. Sci. Part B Polym. Phys.
, vol.32
, pp. 1915-1926
-
-
Coleman, M.R.1
Koros, W.J.2
-
11
-
-
0342762050
-
A group contribution approach to predict permeability and permselectivity of aromatic polymers
-
Robeson L.M., Smith C.D., Langsam M. A group contribution approach to predict permeability and permselectivity of aromatic polymers. J. Membr. Sci. 1997, 132:33-54.
-
(1997)
J. Membr. Sci.
, vol.132
, pp. 33-54
-
-
Robeson, L.M.1
Smith, C.D.2
Langsam, M.3
-
12
-
-
0033951587
-
Development of the methods for prediction of gas permeation parameters of glassy polymers: polyimides as alternating co-polymers
-
Alentiev A.Y., Loza K.A., Yampolskii Y.P. Development of the methods for prediction of gas permeation parameters of glassy polymers: polyimides as alternating co-polymers. J. Membr. Sci. 2000, 167:91-106.
-
(2000)
J. Membr. Sci.
, vol.167
, pp. 91-106
-
-
Alentiev, A.Y.1
Loza, K.A.2
Yampolskii, Y.P.3
-
13
-
-
0000377449
-
Effect of structural symmetry on gas transport properties of polysulfones
-
Aitken C.L., Koros W.J., Paul D.R. Effect of structural symmetry on gas transport properties of polysulfones. Macromolecules 1992, 25:3424-3434.
-
(1992)
Macromolecules
, vol.25
, pp. 3424-3434
-
-
Aitken, C.L.1
Koros, W.J.2
Paul, D.R.3
-
14
-
-
0031551623
-
Conditioning of fluorine-containing polyimides. 1. Effect of exposure to high pressure carbon dioxide on permeability
-
Coleman M.R., Koros W.J. Conditioning of fluorine-containing polyimides. 1. Effect of exposure to high pressure carbon dioxide on permeability. Macromolecules 1997, 30:6899-6905.
-
(1997)
Macromolecules
, vol.30
, pp. 6899-6905
-
-
Coleman, M.R.1
Koros, W.J.2
-
15
-
-
0032665280
-
Conditioning of fluorine-containing polyimides. 2. Effect of conditioning protocol at 8% volume dilation on gas-transport properties
-
Coleman M.R., Koros W.J. Conditioning of fluorine-containing polyimides. 2. Effect of conditioning protocol at 8% volume dilation on gas-transport properties. Macromolecules 1999, 32:3106-3113.
-
(1999)
Macromolecules
, vol.32
, pp. 3106-3113
-
-
Coleman, M.R.1
Koros, W.J.2
-
16
-
-
0347365811
-
Effect of thermal hysteresis on the gas permeation properties of 6FDA-based polyimides
-
Fuhrman C., Nutt M., Vichtovonga K., Coleman M.R. Effect of thermal hysteresis on the gas permeation properties of 6FDA-based polyimides. J. Appl. Polym. Sci. 2004, 91:1174-1182.
-
(2004)
J. Appl. Polym. Sci.
, vol.91
, pp. 1174-1182
-
-
Fuhrman, C.1
Nutt, M.2
Vichtovonga, K.3
Coleman, M.R.4
-
17
-
-
33947328092
-
Gas separation of 6FDA-6FpDA membranes. Effect of the solvent on polymer surfaces and permselectivity
-
Recio R., Palacio L., Pradanos P., Hernandez A., Lozano A.E., Marcos A., De la Campa J.G., De Abajo J. Gas separation of 6FDA-6FpDA membranes. Effect of the solvent on polymer surfaces and permselectivity. J. Membr. Sci. 2007, 293:22-28.
-
(2007)
J. Membr. Sci.
, vol.293
, pp. 22-28
-
-
Recio, R.1
Palacio, L.2
Pradanos, P.3
Hernandez, A.4
Lozano, A.E.5
Marcos, A.6
De la Campa, J.G.7
De Abajo, J.8
-
18
-
-
84979452339
-
Thermally stable polyimide isomers for membrane-based gas separations at elevated temperatures
-
Costello L.M., Koros W.J. Thermally stable polyimide isomers for membrane-based gas separations at elevated temperatures. J. Polym. Sci. Part B Polym. Phys. 1995, 33:135-146.
-
(1995)
J. Polym. Sci. Part B Polym. Phys.
, vol.33
, pp. 135-146
-
-
Costello, L.M.1
Koros, W.J.2
-
19
-
-
84857640791
-
Effect of the chemical structure of aromatic polyimides on their thermal aging, relaxation behavior and mechanical properties
-
Ragosta G., Abbate M., Musto P., Scarinzi G. Effect of the chemical structure of aromatic polyimides on their thermal aging, relaxation behavior and mechanical properties. J. Mater. Sci. 2012, 47:2637-2647.
-
(2012)
J. Mater. Sci.
, vol.47
, pp. 2637-2647
-
-
Ragosta, G.1
Abbate, M.2
Musto, P.3
Scarinzi, G.4
-
20
-
-
24944469099
-
A molecular simulation study of cavity size distributions and diffusion in para and meta isomers
-
Wang X.-Y., In't Veld P.J., Lu Y., Freeman B., Sanchez I.C. A molecular simulation study of cavity size distributions and diffusion in para and meta isomers. Polymer 2005, 46:9155-9161.
-
(2005)
Polymer
, vol.46
, pp. 9155-9161
-
-
Wang, X.-Y.1
In't Veld, P.J.2
Lu, Y.3
Freeman, B.4
Sanchez, I.C.5
-
21
-
-
67650844904
-
Atomistic models of three fluorinated polyimides in the amorphous state
-
Pandiyan S., Brown D., Van der Vegt N.F.A., Neyertz S. Atomistic models of three fluorinated polyimides in the amorphous state. J. Polym. Sci. Part B Polym. Phys. 2009, 47:1166-1180.
-
(2009)
J. Polym. Sci. Part B Polym. Phys.
, vol.47
, pp. 1166-1180
-
-
Pandiyan, S.1
Brown, D.2
Van der Vegt, N.F.A.3
Neyertz, S.4
-
22
-
-
84979383245
-
Dilation kinetics of glassy, aromatic polyimides induced by carbon dioxide sorption
-
Wessling M., Huisman I., Van der Boomgaard T., Smolders C.A. Dilation kinetics of glassy, aromatic polyimides induced by carbon dioxide sorption. J. Polym. Sci. Part B Polym. Phys. 1995, 33:1371-1384.
-
(1995)
J. Polym. Sci. Part B Polym. Phys.
, vol.33
, pp. 1371-1384
-
-
Wessling, M.1
Huisman, I.2
Van der Boomgaard, T.3
Smolders, C.A.4
-
24
-
-
84896458721
-
-
Isomers of Fluorine-containing Polyimides for Gas Separation Membranes (thesis) University of Texas Austin, TX
-
M.R. Coleman, Isomers of Fluorine-containing Polyimides for Gas Separation Membranes (thesis) University of Texas Austin, TX 1988.
-
(1988)
-
-
Coleman, M.R.1
-
26
-
-
0036609525
-
Penetrant-induced plasticization phenomenon in glassy polymers for gas separation membranes
-
Ismail A.F., Lorna W. Penetrant-induced plasticization phenomenon in glassy polymers for gas separation membranes. Sep. Purif. Technol. 2002, 27:173-194.
-
(2002)
Sep. Purif. Technol.
, vol.27
, pp. 173-194
-
-
Ismail, A.F.1
Lorna, W.2
-
27
-
-
0042536430
-
Carbon dioxide-induced plasticization of polyimide membranes: pseudo-equilibrium relationships of diffusion, sorption, and swelling
-
Wind J.D., Sirard S.M., Paul D.R., Green P.F., Johnston K.P., Koros W.J. Carbon dioxide-induced plasticization of polyimide membranes: pseudo-equilibrium relationships of diffusion, sorption, and swelling. Macromolecules 2003, 36:6433-6441.
-
(2003)
Macromolecules
, vol.36
, pp. 6433-6441
-
-
Wind, J.D.1
Sirard, S.M.2
Paul, D.R.3
Green, P.F.4
Johnston, K.P.5
Koros, W.J.6
-
28
-
-
34547417664
-
When do sorption-induced relaxations in glassy polymers set in?
-
Visser T., Wessling M. When do sorption-induced relaxations in glassy polymers set in?. Macromolecules 2007, 40:4992-5000.
-
(2007)
Macromolecules
, vol.40
, pp. 4992-5000
-
-
Visser, T.1
Wessling, M.2
-
29
-
-
77958588640
-
Functionalized copolyimide membranes for the separation of gaseous and liquid mixtures
-
Schmeling N., Konietzny R., Sieffert D., Rölling P., Staudt C. Functionalized copolyimide membranes for the separation of gaseous and liquid mixtures. Beilstein J. Org. Chem. 2010, 6:789-800.
-
(2010)
Beilstein J. Org. Chem.
, vol.6
, pp. 789-800
-
-
Schmeling, N.1
Konietzny, R.2
Sieffert, D.3
Rölling, P.4
Staudt, C.5
-
30
-
-
77649219698
-
Carbon dioxide solubility in three fluorinated polyimides studied by molecular dynamics simulations
-
Pandiyan S., Brown D., Neyertz S., Van der Vegt N.F.A. Carbon dioxide solubility in three fluorinated polyimides studied by molecular dynamics simulations. Macromolecules 2010, 43:2605-2621.
-
(2010)
Macromolecules
, vol.43
, pp. 2605-2621
-
-
Pandiyan, S.1
Brown, D.2
Neyertz, S.3
Van der Vegt, N.F.A.4
-
31
-
-
78149259378
-
Carbon dioxide diffusion and plasticization in fluorinated polyimides
-
Neyertz S., Brown D., Pandiyan S., Van der Vegt N.F.A. Carbon dioxide diffusion and plasticization in fluorinated polyimides. Macromolecules 2010, 43:7813-7827.
-
(2010)
Macromolecules
, vol.43
, pp. 7813-7827
-
-
Neyertz, S.1
Brown, D.2
Pandiyan, S.3
Van der Vegt, N.F.A.4
-
32
-
-
84875663761
-
Molecular dynamics study of carbon dioxide sorption and plasticization at the interface of a glassy polymer membrane
-
Neyertz S., Brown D. Molecular dynamics study of carbon dioxide sorption and plasticization at the interface of a glassy polymer membrane. Macromolecules 2013, 46:2433-2449.
-
(2013)
Macromolecules
, vol.46
, pp. 2433-2449
-
-
Neyertz, S.1
Brown, D.2
-
33
-
-
77955980789
-
2-induced plasticization of a polyimide membrane: a combination of experiment and simulation study
-
2-induced plasticization of a polyimide membrane: a combination of experiment and simulation study. Polymer 2010, 51:4439-4447.
-
(2010)
Polymer
, vol.51
, pp. 4439-4447
-
-
Zhang, L.1
Xiao, Y.2
Chung, T.S.3
Jiang, J.4
-
35
-
-
84870906444
-
Gas sorption isotherms in swelling glassy polymers - detailed atomistic simulations
-
Hölck O., Böhning M., Heuchel M., Siegert M.R., Hofmann D. Gas sorption isotherms in swelling glassy polymers - detailed atomistic simulations. J. Membr. Sci. 2013, 428:523-532.
-
(2013)
J. Membr. Sci.
, vol.428
, pp. 523-532
-
-
Hölck, O.1
Böhning, M.2
Heuchel, M.3
Siegert, M.R.4
Hofmann, D.5
-
36
-
-
78149255331
-
A trajectory-extending kinetic Monte Carlo (TEKMC) method for estimating penetrant diffusion coefficients in molecular dynamics simulations of glassy polymers
-
Neyertz S., Brown D. A trajectory-extending kinetic Monte Carlo (TEKMC) method for estimating penetrant diffusion coefficients in molecular dynamics simulations of glassy polymers. Macromolecules 2010, 43:9210-9214.
-
(2010)
Macromolecules
, vol.43
, pp. 9210-9214
-
-
Neyertz, S.1
Brown, D.2
-
37
-
-
28944445162
-
Effect of interfacial structure on permeation properties of glassy polymers
-
Neyertz S., Douanne A., Brown D. Effect of interfacial structure on permeation properties of glassy polymers. Macromolecules 2005, 38:10286-10298.
-
(2005)
Macromolecules
, vol.38
, pp. 10286-10298
-
-
Neyertz, S.1
Douanne, A.2
Brown, D.3
-
38
-
-
33745728030
-
A molecular dynamics simulation study of surface effects on permeation in free-standing polyimide membranes
-
Neyertz S., Douanne A., Brown D. A molecular dynamics simulation study of surface effects on permeation in free-standing polyimide membranes. J. Membr. Sci. 2006, 280:517-529.
-
(2006)
J. Membr. Sci.
, vol.280
, pp. 517-529
-
-
Neyertz, S.1
Douanne, A.2
Brown, D.3
-
39
-
-
34548450189
-
Tutorial: molecular dynamics simulations of microstructure and transport phenomena in glassy polymers
-
Neyertz S. Tutorial: molecular dynamics simulations of microstructure and transport phenomena in glassy polymers. Soft Materials 2007, 4:15-83.
-
(2007)
Soft Materials
, vol.4
, pp. 15-83
-
-
Neyertz, S.1
-
40
-
-
42449125615
-
Molecular dynamics simulations of oxygen transport through a fully atomistic polyimide membrane
-
Neyertz S., Brown D. Molecular dynamics simulations of oxygen transport through a fully atomistic polyimide membrane. Macromolecules 2008, 41:2711-2721.
-
(2008)
Macromolecules
, vol.41
, pp. 2711-2721
-
-
Neyertz, S.1
Brown, D.2
-
41
-
-
70449449822
-
Oxygen sorption in glassy polymers studied at the molecular level
-
Neyertz S., Brown D. Oxygen sorption in glassy polymers studied at the molecular level. Macromolecules 2009, 42:8521-8533.
-
(2009)
Macromolecules
, vol.42
, pp. 8521-8533
-
-
Neyertz, S.1
Brown, D.2
-
42
-
-
84896484681
-
-
The gmq User Manual Version 5, The gmq User Manual Version 5. Available at:
-
D. Brown, The gmq User Manual Version 5, The gmq User Manual Version 5. Available at: , 2013. http://www.lmops.univ-savoie.fr/brown/gmq.html.
-
(2013)
-
-
Brown, D.1
-
44
-
-
0001672771
-
Molecular dynamics of rigid systems in cartesian coordinates. A general formulation
-
Ciccotti G., Ferrario M., Ryckaert J.P. Molecular dynamics of rigid systems in cartesian coordinates. A general formulation. Mol. Phys. 1982, 47:1253-1264.
-
(1982)
Mol. Phys.
, vol.47
, pp. 1253-1264
-
-
Ciccotti, G.1
Ferrario, M.2
Ryckaert, J.P.3
-
45
-
-
21344437720
-
An optimized molecular potential for carbon dioxide
-
Zhang Z., Duan Z. An optimized molecular potential for carbon dioxide. J. Chem. Phys. 2005, 122:214507.
-
(2005)
J. Chem. Phys.
, vol.122
, pp. 214507
-
-
Zhang, Z.1
Duan, Z.2
-
47
-
-
84977266737
-
Die Berechnung optischer und elektrostatisher Gitterpotentiale
-
Ewald P.P. Die Berechnung optischer und elektrostatisher Gitterpotentiale. Ann. Phys. 1921, 369:253-287.
-
(1921)
Ann. Phys.
, vol.369
, pp. 253-287
-
-
Ewald, P.P.1
-
48
-
-
0026624356
-
A replicated data molecular dynamics strategy for the parallel Ewald sum
-
Smith W. A replicated data molecular dynamics strategy for the parallel Ewald sum. Comput. Phys. Commun. 1992, 67:392-406.
-
(1992)
Comput. Phys. Commun.
, vol.67
, pp. 392-406
-
-
Smith, W.1
-
49
-
-
33750587438
-
Molecular dynamics with coupling to an external bath
-
Berendsen H.J.C., Postma J.P.M., Van Gunsteren W.F., DiNola A., Haak J.R. Molecular dynamics with coupling to an external bath. J. Chem. Phys. 1984, 81:3684-3690.
-
(1984)
J. Chem. Phys.
, vol.81
, pp. 3684-3690
-
-
Berendsen, H.J.C.1
Postma, J.P.M.2
Van Gunsteren, W.F.3
DiNola, A.4
Haak, J.R.5
-
50
-
-
0026116884
-
A loose-coupling constant pressure molecular dynamics algorithm for use in the modelling of polymer materials
-
Brown D., Clarke J.H.R. A loose-coupling constant pressure molecular dynamics algorithm for use in the modelling of polymer materials. Comput. Phys. Commun. 1991, 62:360-369.
-
(1991)
Comput. Phys. Commun.
, vol.62
, pp. 360-369
-
-
Brown, D.1
Clarke, J.H.R.2
-
51
-
-
0025750073
-
Gas transport properties of polysulphones: 2. Effect of bisphenol connector group
-
McHattie J.S., Koros W.J., Paul D.R. Gas transport properties of polysulphones: 2. Effect of bisphenol connector group. Polymer 1991, 32:2618.
-
(1991)
Polymer
, vol.32
, pp. 2618
-
-
McHattie, J.S.1
Koros, W.J.2
Paul, D.R.3
-
52
-
-
0027578355
-
Effect of imidization temperature on properties of polyimide films
-
Chen K.M., Wang T.H., King J.S. Effect of imidization temperature on properties of polyimide films. J. Appl. Polym. Sci. 1993, 48:291-297.
-
(1993)
J. Appl. Polym. Sci.
, vol.48
, pp. 291-297
-
-
Chen, K.M.1
Wang, T.H.2
King, J.S.3
-
54
-
-
0023288104
-
Influence of casting and curing conditions on gas sorption and transport in polyimide films
-
O'Brien K.C., Koros W.J., Husk G.R. Influence of casting and curing conditions on gas sorption and transport in polyimide films. Polym. Eng. Sci. 1987, 27:211-217.
-
(1987)
Polym. Eng. Sci.
, vol.27
, pp. 211-217
-
-
O'Brien, K.C.1
Koros, W.J.2
Husk, G.R.3
-
55
-
-
0030592209
-
Gas transport properties in thermally cured aromatic polyimide membranes
-
Kawakami H., Mikawa M., Nagaoka S. Gas transport properties in thermally cured aromatic polyimide membranes. J. Membr. Sci. 1996, 118:223-230.
-
(1996)
J. Membr. Sci.
, vol.118
, pp. 223-230
-
-
Kawakami, H.1
Mikawa, M.2
Nagaoka, S.3
-
56
-
-
0029657130
-
Effects of film thickness on density and gas permeation parameters of glassy polymers
-
Shishatskii A.M., Yampolskii Y.P., Peinemann K.-V. Effects of film thickness on density and gas permeation parameters of glassy polymers. J. Membr. Sci. 1996, 112:275-285.
-
(1996)
J. Membr. Sci.
, vol.112
, pp. 275-285
-
-
Shishatskii, A.M.1
Yampolskii, Y.P.2
Peinemann, K.-V.3
-
57
-
-
33646196651
-
Physical aging of thin 6FDA-based polyimide membranes containing carboxyl acid groups. Part I. Transport properties
-
Kim J.H., Koros W.J., Paul D.R. Physical aging of thin 6FDA-based polyimide membranes containing carboxyl acid groups. Part I. Transport properties. Polymer 2006, 47:3094-3103.
-
(2006)
Polymer
, vol.47
, pp. 3094-3103
-
-
Kim, J.H.1
Koros, W.J.2
Paul, D.R.3
-
58
-
-
70350787184
-
Physical aging of ultrathin glassy polymer films tracked by gas permeability
-
Rowe B.W., Freeman B.D., Paul D.R. Physical aging of ultrathin glassy polymer films tracked by gas permeability. Polymer 2009, 50:5565-5575.
-
(2009)
Polymer
, vol.50
, pp. 5565-5575
-
-
Rowe, B.W.1
Freeman, B.D.2
Paul, D.R.3
-
59
-
-
79959847212
-
Physical aging of 6FDA-based polyimide membranes monitored by gas permeability
-
Cui L., Qiu W., Paul D.R., Koros W.J. Physical aging of 6FDA-based polyimide membranes monitored by gas permeability. Polymer 2011, 52:3374-3380.
-
(2011)
Polymer
, vol.52
, pp. 3374-3380
-
-
Cui, L.1
Qiu, W.2
Paul, D.R.3
Koros, W.J.4
-
60
-
-
80455122655
-
2 exposure and physical aging as monitored by gas permeability
-
2 exposure and physical aging as monitored by gas permeability. Polymer 2011, 52:5528-5537.
-
(2011)
Polymer
, vol.52
, pp. 5528-5537
-
-
Cui, L.1
Qiu, W.2
Paul, D.R.3
Koros, W.J.4
-
61
-
-
79952620556
-
Carbon dioxide plasticization and conditioning effects in thick vs. thin glassy polymer films
-
Horn N.R., Paul D.R. Carbon dioxide plasticization and conditioning effects in thick vs. thin glassy polymer films. Polymer 2011, 52.
-
(2011)
Polymer
, vol.52
-
-
Horn, N.R.1
Paul, D.R.2
-
62
-
-
0032558170
-
Interaction of toluene, hexadecane, and water with the surfaces of random copolymers of styrene and butadiene
-
Natarajan U., Mattice W.L. Interaction of toluene, hexadecane, and water with the surfaces of random copolymers of styrene and butadiene. J. Membr. Sci. 1998, 146:135-142.
-
(1998)
J. Membr. Sci.
, vol.146
, pp. 135-142
-
-
Natarajan, U.1
Mattice, W.L.2
-
64
-
-
0035828065
-
Structure and properties of polymethylene melt surfaces from molecular dynamics simulations
-
Chang J., Han J., Yang L., Jaffe R.L., Yoon D.Y. Structure and properties of polymethylene melt surfaces from molecular dynamics simulations. J. Chem. Phys. 2001, 115:2831-2840.
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 2831-2840
-
-
Chang, J.1
Han, J.2
Yang, L.3
Jaffe, R.L.4
Yoon, D.Y.5
-
65
-
-
0031998823
-
Simulation of polyethylene thin films on a high coordination lattice
-
Doruker P., Mattice W.L. Simulation of polyethylene thin films on a high coordination lattice. Macromolecules 1998, 31:1418-1426.
-
(1998)
Macromolecules
, vol.31
, pp. 1418-1426
-
-
Doruker, P.1
Mattice, W.L.2
-
66
-
-
2542447346
-
A molecular dynamics simulation study of the influence of free surfaces on the morphology of self-associating polymers
-
Ayyagari C., Bedrov D. A molecular dynamics simulation study of the influence of free surfaces on the morphology of self-associating polymers. Polymer 2004, 45:4549-4558.
-
(2004)
Polymer
, vol.45
, pp. 4549-4558
-
-
Ayyagari, C.1
Bedrov, D.2
-
67
-
-
4744360703
-
Preparing relaxed systems of amorphous polymers by multiscale simulation: application to cellulose
-
Queyroy S., Neyertz S., Brown D., Müller-Plathe F. Preparing relaxed systems of amorphous polymers by multiscale simulation: application to cellulose. Macromolecules 2004, 37:7338-7350.
-
(2004)
Macromolecules
, vol.37
, pp. 7338-7350
-
-
Queyroy, S.1
Neyertz, S.2
Brown, D.3
Müller-Plathe, F.4
-
68
-
-
33749672504
-
Hierarchical modeling of polystyrene: from atomistic to coarse-grained simulations
-
Harmandaris V.A., Adhikari N.P., Van der Vegt N.F.A., Kremer K. Hierarchical modeling of polystyrene: from atomistic to coarse-grained simulations. Macromolecules 2006, 39:6708-6719.
-
(2006)
Macromolecules
, vol.39
, pp. 6708-6719
-
-
Harmandaris, V.A.1
Adhikari, N.P.2
Van der Vegt, N.F.A.3
Kremer, K.4
-
69
-
-
33745699759
-
Long-time atomistic polymer trajectories from coarse-grained simulations: bisphenol-A polycarbonate
-
Hess B., León S., Van der Vegt N.F.A., Kremer K. Long-time atomistic polymer trajectories from coarse-grained simulations: bisphenol-A polycarbonate. Soft Matter 2006, 2:409-414.
-
(2006)
Soft Matter
, vol.2
, pp. 409-414
-
-
Hess, B.1
León, S.2
Van der Vegt, N.F.A.3
Kremer, K.4
-
70
-
-
37149036449
-
Comparison between coarse-graining models for polymer systems: two mapping schemes for polystyrene
-
Harmandaris V.A., Reith D., Van der Vegt N.F.A., Kremer K. Comparison between coarse-graining models for polymer systems: two mapping schemes for polystyrene. Macromol. Chem. Phys. 2007, 208:2109-2120.
-
(2007)
Macromol. Chem. Phys.
, vol.208
, pp. 2109-2120
-
-
Harmandaris, V.A.1
Reith, D.2
Van der Vegt, N.F.A.3
Kremer, K.4
-
71
-
-
84861162889
-
Hierarchical modelling of polystyrene surfaces
-
Marcon V., Fritz D., van der Vegt N.F.A. Hierarchical modelling of polystyrene surfaces. Soft Matter 2012, 8:5585-5594.
-
(2012)
Soft Matter
, vol.8
, pp. 5585-5594
-
-
Marcon, V.1
Fritz, D.2
van der Vegt, N.F.A.3
-
72
-
-
4444346907
-
Multi-scale modeling of polyimides
-
Clancy T.C. Multi-scale modeling of polyimides. Polymer 2004, 45:7001-7010.
-
(2004)
Polymer
, vol.45
, pp. 7001-7010
-
-
Clancy, T.C.1
-
73
-
-
0035827776
-
Preparation of bulk melt chain configurations of polycyclic polymers
-
Neyertz S., Brown D. Preparation of bulk melt chain configurations of polycyclic polymers. J. Chem. Phys. 2001, 115:708-717.
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 708-717
-
-
Neyertz, S.1
Brown, D.2
-
74
-
-
11444270814
-
Influence of system size in molecular dynamics simulations of gas permeation in glassy polymers
-
Neyertz S., Brown D. Influence of system size in molecular dynamics simulations of gas permeation in glassy polymers. Macromolecules 2004, 37:10109-10122.
-
(2004)
Macromolecules
, vol.37
, pp. 10109-10122
-
-
Neyertz, S.1
Brown, D.2
-
75
-
-
0003399724
-
-
Academic Press, San Diego, CA and London
-
Frenkel D., Klein M., Parrinello M., Smit B. Understanding Molecular Simulation 2002, Academic Press, San Diego, CA and London. 2nd ed.
-
(2002)
Understanding Molecular Simulation
-
-
Frenkel, D.1
Klein, M.2
Parrinello, M.3
Smit, B.4
-
76
-
-
0025503497
-
Atomistic simulation of a glassy polymer surface
-
Mansfield K.F., Theodorou D.N. Atomistic simulation of a glassy polymer surface. Macromolecules 1990, 23:4430-4445.
-
(1990)
Macromolecules
, vol.23
, pp. 4430-4445
-
-
Mansfield, K.F.1
Theodorou, D.N.2
-
77
-
-
0026260417
-
Molecular dynamics simulation of a glassy polymer surface
-
Mansfield K.F., Theodorou D.N. Molecular dynamics simulation of a glassy polymer surface. Macromolecules 1991, 24:6283-6294.
-
(1991)
Macromolecules
, vol.24
, pp. 6283-6294
-
-
Mansfield, K.F.1
Theodorou, D.N.2
-
78
-
-
0034300579
-
A Monte Carlo simulation of the effects of chain end modification on freely standing thin films of amorphous polyethylene melts
-
Jang J.H., Ozisik R., Mattice W.L. A Monte Carlo simulation of the effects of chain end modification on freely standing thin films of amorphous polyethylene melts. Macromolecules 2000, 33:7663-7671.
-
(2000)
Macromolecules
, vol.33
, pp. 7663-7671
-
-
Jang, J.H.1
Ozisik, R.2
Mattice, W.L.3
-
79
-
-
0035936212
-
Orientation of phenyl rings and methylene bisectors at the free surface of atactic polystyrene
-
Clancy T.C., Jang J.H., Dhinojwala A., Mattice W.L. Orientation of phenyl rings and methylene bisectors at the free surface of atactic polystyrene. J. Phys. Chem. B 2001, 105:11493-11497.
-
(2001)
J. Phys. Chem. B
, vol.105
, pp. 11493-11497
-
-
Clancy, T.C.1
Jang, J.H.2
Dhinojwala, A.3
Mattice, W.L.4
-
80
-
-
0035473895
-
Novel method to estimate solubility of small molecules in cis-polyisoprene by molecular dynamics simulations
-
Kikuchi H., Kuwajima S., Fukuda M. Novel method to estimate solubility of small molecules in cis-polyisoprene by molecular dynamics simulations. J. Chem. Phys. 2001, 115:6258-6265.
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 6258-6265
-
-
Kikuchi, H.1
Kuwajima, S.2
Fukuda, M.3
-
81
-
-
0035897638
-
Effect of surface roughness on structure and dynamics in thin films
-
Doruker P., Mattice W.L. Effect of surface roughness on structure and dynamics in thin films. Macromol. Theory Simul. 2001, 10:363-367.
-
(2001)
Macromol. Theory Simul.
, vol.10
, pp. 363-367
-
-
Doruker, P.1
Mattice, W.L.2
-
82
-
-
0037066204
-
Monte Carlo simulation of free-standing polymer films near the glass transition temperature
-
Jain T.S., De Pablo J.J. Monte Carlo simulation of free-standing polymer films near the glass transition temperature. Macromolecules 2002, 35:2167-2176.
-
(2002)
Macromolecules
, vol.35
, pp. 2167-2176
-
-
Jain, T.S.1
De Pablo, J.J.2
-
83
-
-
0037444509
-
Monte Carlo simulation on the glass transition of free-standing atactic polypropylene thin films on a high coordination lattice
-
Xu G., Mattice W.L. Monte Carlo simulation on the glass transition of free-standing atactic polypropylene thin films on a high coordination lattice. J. Chem. Phys. 2003, 118:5241-5247.
-
(2003)
J. Chem. Phys.
, vol.118
, pp. 5241-5247
-
-
Xu, G.1
Mattice, W.L.2
-
84
-
-
4544222259
-
Evaluation of transport properties of gases in rubbery polymer membrane by molecular dynamics simulations
-
Kikuchi H., Fukura M. Evaluation of transport properties of gases in rubbery polymer membrane by molecular dynamics simulations. Kautsch. Gummi Kunstst. 2004, 57:416-422.
-
(2004)
Kautsch. Gummi Kunstst.
, vol.57
, pp. 416-422
-
-
Kikuchi, H.1
Fukura, M.2
-
85
-
-
1642431994
-
Atomistic simulations of the structure and thermodynamic properties of poly(1,2-vinyl-butadiene) surfaces
-
Ijantkar A.S., Natarajan U. Atomistic simulations of the structure and thermodynamic properties of poly(1,2-vinyl-butadiene) surfaces. Polymer 2004, 45:1373-1381.
-
(2004)
Polymer
, vol.45
, pp. 1373-1381
-
-
Ijantkar, A.S.1
Natarajan, U.2
-
86
-
-
15944379605
-
Glass transition behavior of polymer films of nanoscopic dimensions
-
Baljon A.R.C., Van Weert M.H.M., Barber DeGraaff R., Khare R. Glass transition behavior of polymer films of nanoscopic dimensions. Macromolecules 2005, 38:2391-2399.
-
(2005)
Macromolecules
, vol.38
, pp. 2391-2399
-
-
Baljon, A.R.C.1
Van Weert, M.H.M.2
Barber DeGraaff, R.3
Khare, R.4
-
87
-
-
33747786338
-
Molecular modeling and atomistic simulation strategies to determine surface properties of perfluorinated homopolymers and their random copolymers
-
Prathab B., Aminabhavi T.M., Parthasarathi R., Manikandan P., Subramanian V. Molecular modeling and atomistic simulation strategies to determine surface properties of perfluorinated homopolymers and their random copolymers. Polymer 2006, 47:6914-6924.
-
(2006)
Polymer
, vol.47
, pp. 6914-6924
-
-
Prathab, B.1
Aminabhavi, T.M.2
Parthasarathi, R.3
Manikandan, P.4
Subramanian, V.5
-
88
-
-
33644504885
-
Molecular dynamics simulations of the embedding of a nano-particle into a polymer film
-
Ochoa J.G.Diaz, Binder K., Paul W. Molecular dynamics simulations of the embedding of a nano-particle into a polymer film. J. Phys. Condens. Matter 2006, 18:2777-2787.
-
(2006)
J. Phys. Condens. Matter
, vol.18
, pp. 2777-2787
-
-
Ochoa, J.1
Binder, K.2
Paul, W.3
-
89
-
-
33748777102
-
Study of the glass transition temperature of polymer surface by coarse-grained molecular dynamics simulation
-
Morita H., Tanaka K., Kajiyama T., Nishi T., Doi M. Study of the glass transition temperature of polymer surface by coarse-grained molecular dynamics simulation. Macromolecules 2006, 39:6233-6237.
-
(2006)
Macromolecules
, vol.39
, pp. 6233-6237
-
-
Morita, H.1
Tanaka, K.2
Kajiyama, T.3
Nishi, T.4
Doi, M.5
-
91
-
-
36549102395
-
Molecular dynamics simulations of the structure and dynamics of confined polymer melts
-
Bitsanis I., Hadziioannou G. Molecular dynamics simulations of the structure and dynamics of confined polymer melts. J. Chem. Phys. 1990, 92:3827-3847.
-
(1990)
J. Chem. Phys.
, vol.92
, pp. 3827-3847
-
-
Bitsanis, I.1
Hadziioannou, G.2
-
92
-
-
0035953090
-
Monte Carlo simulations of the interface between polymer melts and solids. Effects of chain stiffness
-
Vacatello M. Monte Carlo simulations of the interface between polymer melts and solids. Effects of chain stiffness. Macromol. Theory Simul. 2001, 10:187-195.
-
(2001)
Macromol. Theory Simul.
, vol.10
, pp. 187-195
-
-
Vacatello, M.1
-
93
-
-
0025418854
-
Off-lattice Monte Carlo simulations of polymer melts confined between two plates. 2. Effects of chain length and plate separation
-
Kumar S.K., Vacatello M., Yoon D.Y. Off-lattice Monte Carlo simulations of polymer melts confined between two plates. 2. Effects of chain length and plate separation. Macromolecules 1990, 23:2189-2197.
-
(1990)
Macromolecules
, vol.23
, pp. 2189-2197
-
-
Kumar, S.K.1
Vacatello, M.2
Yoon, D.Y.3
-
94
-
-
0037045394
-
Ordered arrangement of semiflexible polymers at the interface with solids
-
Vacatello M. Ordered arrangement of semiflexible polymers at the interface with solids. Macromol. Theory Simul. 2002, 11:53-57.
-
(2002)
Macromol. Theory Simul.
, vol.11
, pp. 53-57
-
-
Vacatello, M.1
-
95
-
-
0035889767
-
Polymer films in the normal-liquid and supercooled state: a review of recent Monte Carlo simulation results
-
Mischler C., Baschnagel J., Binder K. Polymer films in the normal-liquid and supercooled state: a review of recent Monte Carlo simulation results. Adv. Colloid Interface Sci. 2001, 94:197-227.
-
(2001)
Adv. Colloid Interface Sci.
, vol.94
, pp. 197-227
-
-
Mischler, C.1
Baschnagel, J.2
Binder, K.3
-
96
-
-
0026187163
-
Atomistic simulation of a glassy polymer/graphite interface
-
Mansfield K.F., Theodorou D.N. Atomistic simulation of a glassy polymer/graphite interface. Macromolecules 1991, 24:4295-4309.
-
(1991)
Macromolecules
, vol.24
, pp. 4295-4309
-
-
Mansfield, K.F.1
Theodorou, D.N.2
-
97
-
-
34547640523
-
Molecular dynamics simulations of helium permeation in polyimides with a bulky dianhydride and a fluorinated diamine
-
Neyertz S. Molecular dynamics simulations of helium permeation in polyimides with a bulky dianhydride and a fluorinated diamine. Macromol. Theory Simul. 2007, 16:513-524.
-
(2007)
Macromol. Theory Simul.
, vol.16
, pp. 513-524
-
-
Neyertz, S.1
-
99
-
-
1842817337
-
Theory of the interface between immiscible polymers
-
Helfand E., Tagami Y. Theory of the interface between immiscible polymers. J. Chem. Phys. 1972, 56:3592-3601.
-
(1972)
J. Chem. Phys.
, vol.56
, pp. 3592-3601
-
-
Helfand, E.1
Tagami, Y.2
-
100
-
-
36849105284
-
Theory of the interface between immiscible polymers. II
-
Helfand E., Tagami Y. Theory of the interface between immiscible polymers. II. J. Chem. Phys. 1972, 57:1812-1813.
-
(1972)
J. Chem. Phys.
, vol.57
, pp. 1812-1813
-
-
Helfand, E.1
Tagami, Y.2
-
101
-
-
0032814093
-
The effect of solid wall interaction on an amorphous polyethylene thin film, using a Monte Carlo simulation on a high coordination lattice
-
Jang J.H., Mattice W.L. The effect of solid wall interaction on an amorphous polyethylene thin film, using a Monte Carlo simulation on a high coordination lattice. Polymer 1999, 40:4685-4694.
-
(1999)
Polymer
, vol.40
, pp. 4685-4694
-
-
Jang, J.H.1
Mattice, W.L.2
-
102
-
-
0034300364
-
Molecular simulation of ultrathin polymeric films near the glass transition
-
Torres J.A., Nealey P.F., De Pablo J.J. Molecular simulation of ultrathin polymeric films near the glass transition. Phys. Rev. Lett. 2000, 85:3221-3224.
-
(2000)
Phys. Rev. Lett.
, vol.85
, pp. 3221-3224
-
-
Torres, J.A.1
Nealey, P.F.2
De Pablo, J.J.3
-
103
-
-
0037158531
-
Molecular simulation of thin polymer films with functional endgroups
-
Izumisawa S., Jhon M.S. Molecular simulation of thin polymer films with functional endgroups. J. Chem. Phys. 2002, 117:3972-3977.
-
(2002)
J. Chem. Phys.
, vol.117
, pp. 3972-3977
-
-
Izumisawa, S.1
Jhon, M.S.2
-
104
-
-
0026419868
-
Simulation of glassy polymethylene starting from the equilibrated liquid
-
Boyd R.H., Pant P.V.K. Simulation of glassy polymethylene starting from the equilibrated liquid. Macromolecules 1991, 24:4078-4083.
-
(1991)
Macromolecules
, vol.24
, pp. 4078-4083
-
-
Boyd, R.H.1
Pant, P.V.K.2
-
105
-
-
0027539417
-
Molecular dynamics simulation of diffusion of small penetrants in polymers
-
Pant P.V.K., Boyd R.H. Molecular dynamics simulation of diffusion of small penetrants in polymers. Macromolecules 1993, 26:679-686.
-
(1993)
Macromolecules
, vol.26
, pp. 679-686
-
-
Pant, P.V.K.1
Boyd, R.H.2
-
106
-
-
67650236112
-
An empirical correlation of gas permeability and permselectivity in polymers and its theoretical basis
-
Robeson L.M., Freeman B.D., Paul D.R., Rowe B.W. An empirical correlation of gas permeability and permselectivity in polymers and its theoretical basis. J. Membr. Sci. 2009, 341:178-185.
-
(2009)
J. Membr. Sci.
, vol.341
, pp. 178-185
-
-
Robeson, L.M.1
Freeman, B.D.2
Paul, D.R.3
Rowe, B.W.4
-
107
-
-
20544433165
-
Van der Waals volumes and radii
-
Bondi A. Van der Waals volumes and radii. J. Phys. Chem. 1964, 68:441-451.
-
(1964)
J. Phys. Chem.
, vol.68
, pp. 441-451
-
-
Bondi, A.1
-
109
-
-
3042563867
-
Interface between end-functionalized PEO oligomers and a silica nanoparticle studied by molecular dynamics simulations
-
Barbier D., Brown D., Grillet A.-C., Neyertz S. Interface between end-functionalized PEO oligomers and a silica nanoparticle studied by molecular dynamics simulations. Macromolecules 2004, 37:4695-4710.
-
(2004)
Macromolecules
, vol.37
, pp. 4695-4710
-
-
Barbier, D.1
Brown, D.2
Grillet, A.-C.3
Neyertz, S.4
-
111
-
-
84990138118
-
Time-dependent permeation of carbon dioxide through a polyimide membrane above the plasticization pressure
-
Wessling M., Huisman I., Van der Boomgaard T., Smolders C.A. Time-dependent permeation of carbon dioxide through a polyimide membrane above the plasticization pressure. J. Appl. Polym. Sci. 1995, 58:1959-1966.
-
(1995)
J. Appl. Polym. Sci.
, vol.58
, pp. 1959-1966
-
-
Wessling, M.1
Huisman, I.2
Van der Boomgaard, T.3
Smolders, C.A.4
-
112
-
-
0032188013
-
Sorptive dilation and relaxational processes in glassy polymer/gas systems I. Poly(sulfone) and poly(ether sulfone)
-
Böhning M., Springer J. Sorptive dilation and relaxational processes in glassy polymer/gas systems I. Poly(sulfone) and poly(ether sulfone). Polymer 1998, 39:5183-5195.
-
(1998)
Polymer
, vol.39
, pp. 5183-5195
-
-
Böhning, M.1
Springer, J.2
-
113
-
-
13444309497
-
The effects of density fluctuations in supercritical fluids: new science and technology for polymer thin films
-
Koga T., Akashige E., Reinstein A., Bronner M., Seo Y.-S., Shin K., Rafailovich M.H., Sokolov J.C., Chu B., Satija S.K. The effects of density fluctuations in supercritical fluids: new science and technology for polymer thin films. Physica B 2005, 357:73-79.
-
(2005)
Physica B
, vol.357
, pp. 73-79
-
-
Koga, T.1
Akashige, E.2
Reinstein, A.3
Bronner, M.4
Seo, Y.-S.5
Shin, K.6
Rafailovich, M.H.7
Sokolov, J.C.8
Chu, B.9
Satija, S.K.10
-
114
-
-
68549128905
-
2 conditioning on un-cross-linked polyimide membranes for natural gas purification
-
2 conditioning on un-cross-linked polyimide membranes for natural gas purification. Macromolecules 2009, 42:5670-5675.
-
(2009)
Macromolecules
, vol.42
, pp. 5670-5675
-
-
Kratochvil, A.M.1
Damle-Mogri, S.2
Koros, W.J.3
-
115
-
-
77952527379
-
2 conditioning on cross-linked polyimide membranes
-
2 conditioning on cross-linked polyimide membranes. Macromolecules 2010, 43:4679-4687.
-
(2010)
Macromolecules
, vol.43
, pp. 4679-4687
-
-
Kratochvil, A.M.1
Koros, W.J.2
-
116
-
-
0027695793
-
Gas-separation applications of miscible blends of isomeric polyimides
-
Coleman M.R., Kohn R., Koros W.J. Gas-separation applications of miscible blends of isomeric polyimides. J. Appl. Polym. Sci. 1993, 50:1059-1064.
-
(1993)
J. Appl. Polym. Sci.
, vol.50
, pp. 1059-1064
-
-
Coleman, M.R.1
Kohn, R.2
Koros, W.J.3
-
117
-
-
0018458368
-
Gas sorption and transport in glassy polymers
-
Paul D.R. Gas sorption and transport in glassy polymers. Ber. Bunsen-Ges. 1979, 83:294-302.
-
(1979)
Ber. Bunsen-Ges.
, vol.83
, pp. 294-302
-
-
Paul, D.R.1
-
118
-
-
33846194944
-
2 sorption induced dilaton in polysulfone: comparative analysis of experimental and molecular modeling results
-
2 sorption induced dilaton in polysulfone: comparative analysis of experimental and molecular modeling results. Macromolecules 2006, 39:9590-9604.
-
(2006)
Macromolecules
, vol.39
, pp. 9590-9604
-
-
Hölck, O.1
Siegert, M.R.2
Heuchel, M.3
Böhning, M.4
-
119
-
-
84930670905
-
Gas transport in dense polymeric membranes, molecular dynamics simulations
-
John Wiley & Sons, Hoboken, NJ, E.M.V. Hoek, V.V. Tarabara (Eds.)
-
Neyertz S. Gas transport in dense polymeric membranes, molecular dynamics simulations. Encyclopedia of Membrane Science and Technology, 3 Volume Set 2013, John Wiley & Sons, Hoboken, NJ. E.M.V. Hoek, V.V. Tarabara (Eds.).
-
(2013)
Encyclopedia of Membrane Science and Technology, 3 Volume Set
-
-
Neyertz, S.1
-
120
-
-
84860127622
-
Polymeric gas separation membranes
-
Yampolskii Y. Polymeric gas separation membranes. Macromolecules 2012, 45:3298-3311.
-
(2012)
Macromolecules
, vol.45
, pp. 3298-3311
-
-
Yampolskii, Y.1
-
121
-
-
0032872457
-
A phantom bubble model for the distribution of free volume in polymers
-
Lee S., Mattice W.L. A phantom bubble model for the distribution of free volume in polymers. Comput. Theor. Polym. Sci. 1999, 9:57-61.
-
(1999)
Comput. Theor. Polym. Sci.
, vol.9
, pp. 57-61
-
-
Lee, S.1
Mattice, W.L.2
-
122
-
-
0001455443
-
Calculation of the lifetime of positronium in polymers via molecular dynamics simulations
-
Schmitz H., Müller-Plathe F. Calculation of the lifetime of positronium in polymers via molecular dynamics simulations. J. Chem. Phys. 2000, 112:1040-1045.
-
(2000)
J. Chem. Phys.
, vol.112
, pp. 1040-1045
-
-
Schmitz, H.1
Müller-Plathe, F.2
-
123
-
-
0037207206
-
Chemical influence of the dianhydride and the diamine structure on a series of copolyimides studied by molecular dynamics simulations
-
Pinel E., Brown D., Bas C., Mercier R., Albérola N.D., Neyertz S. Chemical influence of the dianhydride and the diamine structure on a series of copolyimides studied by molecular dynamics simulations. Macromolecules 2002, 35:10198-10209.
-
(2002)
Macromolecules
, vol.35
, pp. 10198-10209
-
-
Pinel, E.1
Brown, D.2
Bas, C.3
Mercier, R.4
Albérola, N.D.5
Neyertz, S.6
-
124
-
-
0037066223
-
Free volume distributions in ultrahigh and lower free volume polymers: comparison between molecular modeling and positron lifetime studies
-
Hofmann D., Heuchel M., Yampolskii Y., Khotimskii V., Shantarovich V. Free volume distributions in ultrahigh and lower free volume polymers: comparison between molecular modeling and positron lifetime studies. Macromolecules 2002, 35:2129-2140.
-
(2002)
Macromolecules
, vol.35
, pp. 2129-2140
-
-
Hofmann, D.1
Heuchel, M.2
Yampolskii, Y.3
Khotimskii, V.4
Shantarovich, V.5
-
125
-
-
1642578109
-
Molecular modeling of small-molecule permeation in polyimides and its correlation to free-volume distributions
-
Heuchel M., Hofmann D., Pullumbi P. Molecular modeling of small-molecule permeation in polyimides and its correlation to free-volume distributions. Macromolecules 2004, 37:201-214.
-
(2004)
Macromolecules
, vol.37
, pp. 201-214
-
-
Heuchel, M.1
Hofmann, D.2
Pullumbi, P.3
-
126
-
-
34047276429
-
Methods for investigation of the free volume in polymers
-
Yampolskii Y. Methods for investigation of the free volume in polymers. Russ. Chem. Rev. 2007, 76:59-78.
-
(2007)
Russ. Chem. Rev.
, vol.76
, pp. 59-78
-
-
Yampolskii, Y.1
-
127
-
-
0343408462
-
CESA algorithm for cavity size distributions
-
In't Veld P.J., Stone M.T., Truskett T.M., Sanchez I.C. CESA algorithm for cavity size distributions. J. Phys. Chem. B. 2000, 104:12028-12034.
-
(2000)
J. Phys. Chem. B.
, vol.104
, pp. 12028-12034
-
-
In't Veld, P.J.1
Stone, M.T.2
Truskett, T.M.3
Sanchez, I.C.4
-
128
-
-
2342604901
-
Cavity size distributions in high free volume glassy polymers by molecular simulation
-
Wang X.-Y., Lee K.M., Lu Y., Stone M.T., Sanchez I.C., Freeman B.D. Cavity size distributions in high free volume glassy polymers by molecular simulation. Polymer 2004, 45:3907-3912.
-
(2004)
Polymer
, vol.45
, pp. 3907-3912
-
-
Wang, X.-Y.1
Lee, K.M.2
Lu, Y.3
Stone, M.T.4
Sanchez, I.C.5
Freeman, B.D.6
-
129
-
-
67651229230
-
Residual solvent effects on free volume and performance of fluorinated polyimide membranes: a molecular simulation study
-
Chang K.-S., Hsiung C.-C., Lin C.-C., Tung K.-L. Residual solvent effects on free volume and performance of fluorinated polyimide membranes: a molecular simulation study. J. Phys. Chem. B 2009, 113:10159-10169.
-
(2009)
J. Phys. Chem. B
, vol.113
, pp. 10159-10169
-
-
Chang, K.-S.1
Hsiung, C.-C.2
Lin, C.-C.3
Tung, K.-L.4
-
130
-
-
0042640726
-
Some topics in theory of fluids
-
Widom B. Some topics in theory of fluids. J. Chem. Phys. 1963, 39:2808-2812.
-
(1963)
J. Chem. Phys.
, vol.39
, pp. 2808-2812
-
-
Widom, B.1
-
131
-
-
0001692245
-
Free energy calculations of small molecules in dense amorphous polymers. Effect of the initial guess configuration in molecular dynamics studies
-
Van der Vegt N.F.A., Briels W.J., Wessling M., Strathmann H. Free energy calculations of small molecules in dense amorphous polymers. Effect of the initial guess configuration in molecular dynamics studies. J. Chem. Phys. 1996, 105:8849-8857.
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 8849-8857
-
-
Van der Vegt, N.F.A.1
Briels, W.J.2
Wessling, M.3
Strathmann, H.4
-
132
-
-
0027114552
-
Sorption and partial molar volume of small molecules in glassy polymers
-
Kirchheim R. Sorption and partial molar volume of small molecules in glassy polymers. Macromolecules 1992, 25:6952-6960.
-
(1992)
Macromolecules
, vol.25
, pp. 6952-6960
-
-
Kirchheim, R.1
-
133
-
-
0031374980
-
Volume change of glassy polymers by sorption of small molecules and its relation to the intermolecular space
-
Gotthardt P., Grüger A., Brion H.G., Plaetschke R., Kirchheim R. Volume change of glassy polymers by sorption of small molecules and its relation to the intermolecular space. Macromolecules 1997, 30:8058-8065.
-
(1997)
Macromolecules
, vol.30
, pp. 8058-8065
-
-
Gotthardt, P.1
Grüger, A.2
Brion, H.G.3
Plaetschke, R.4
Kirchheim, R.5
-
134
-
-
84985516486
-
Permeation of polymers. A computational approach
-
Müller-Plathe F. Permeation of polymers. A computational approach. Acta Polym. 1994, 45:259-293.
-
(1994)
Acta Polym.
, vol.45
, pp. 259-293
-
-
Müller-Plathe, F.1
-
135
-
-
0013425171
-
Dynamics of small molecules in bulk polymers
-
Gusev A.A., Müller-Plathe F., van Gunsteren W.F., Suter U.W. Dynamics of small molecules in bulk polymers. Adv. Polym. Sci. 1994, 116:207-247.
-
(1994)
Adv. Polym. Sci.
, vol.116
, pp. 207-247
-
-
Gusev, A.A.1
Müller-Plathe, F.2
van Gunsteren, W.F.3
Suter, U.W.4
-
136
-
-
0001273141
-
Relationship between helium transport and molecular motions in a glassy polycarbonate
-
Gusev A.A., Suter U.W., Moll D.J. Relationship between helium transport and molecular motions in a glassy polycarbonate. Macromolecules 1995, 28:2582-2584.
-
(1995)
Macromolecules
, vol.28
, pp. 2582-2584
-
-
Gusev, A.A.1
Suter, U.W.2
Moll, D.J.3
-
137
-
-
84894683930
-
Chain mobility, thermal and mechanical properties of poly(ethylene furanoate) compared to poly(ethylene terephthalate)
-
Burgess S.K., Leisen J.E., Kraftschik B.E., Mubarak C.R., Kriegel R.M., Koros W.J. Chain mobility, thermal and mechanical properties of poly(ethylene furanoate) compared to poly(ethylene terephthalate). Macromolecules 2014, 47:1383-1391.
-
(2014)
Macromolecules
, vol.47
, pp. 1383-1391
-
-
Burgess, S.K.1
Leisen, J.E.2
Kraftschik, B.E.3
Mubarak, C.R.4
Kriegel, R.M.5
Koros, W.J.6
-
138
-
-
22244475512
-
On the determination of rate constants from equilibrium molecular dynamics simulations
-
Brown D., Clarke J.H.R. On the determination of rate constants from equilibrium molecular dynamics simulations. J. Chem. Phys. 1990, 93:4117-4122.
-
(1990)
J. Chem. Phys.
, vol.93
, pp. 4117-4122
-
-
Brown, D.1
Clarke, J.H.R.2
-
139
-
-
34548424697
-
On the determination of rate constants from equilibrium molecular dynamics simulations
-
Brown D., Clarke J.H.R. On the determination of rate constants from equilibrium molecular dynamics simulations. J. Chem. Phys. 1990, 94:4684.
-
(1990)
J. Chem. Phys.
, vol.94
, pp. 4684
-
-
Brown, D.1
Clarke, J.H.R.2
-
140
-
-
0003466969
-
-
Prentice-Hall Inc., Englewood Cliffs, NJ
-
Moore W.J. Physical Chemistry 1972, Prentice-Hall Inc., Englewood Cliffs, NJ. 5th ed.
-
(1972)
Physical Chemistry
-
-
Moore, W.J.1
-
141
-
-
34249858626
-
Role of interfacial interactions on the anomalous swelling of polymer thin films in supercritical carbon dioxide
-
Li Y., Park E.J., Lim K.T., Johnston K.P., Green P.F. Role of interfacial interactions on the anomalous swelling of polymer thin films in supercritical carbon dioxide. J. Polym. Sci. Part B Polym. Phys. 2007, 45:1313-1324.
-
(2007)
J. Polym. Sci. Part B Polym. Phys.
, vol.45
, pp. 1313-1324
-
-
Li, Y.1
Park, E.J.2
Lim, K.T.3
Johnston, K.P.4
Green, P.F.5
-
143
-
-
1542426174
-
Molecular dynamics simulation of solvent-polymer interdiffusion: fickian diffusion
-
Tsige M., Grest G.S. Molecular dynamics simulation of solvent-polymer interdiffusion: fickian diffusion. J. Chem. Phys. 2004, 120:2989-2995.
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 2989-2995
-
-
Tsige, M.1
Grest, G.S.2
-
144
-
-
0242439357
-
2 plasticization of ultra-thin polyimide films and the effect of surface chemical cross-linking on plasticization and physical aging
-
2 plasticization of ultra-thin polyimide films and the effect of surface chemical cross-linking on plasticization and physical aging. J. Membr. Sci. 2003, 225:125-134.
-
(2003)
J. Membr. Sci.
, vol.225
, pp. 125-134
-
-
Zhou, C.1
Chung, T.-S.2
Wang, R.3
Liu, Y.4
Goh, S.H.5
-
145
-
-
77349101061
-
Thermal stability of 6FDA-(co-)polyimides containing carboxylic acid groups
-
Wieneke J.U., Staudt C. Thermal stability of 6FDA-(co-)polyimides containing carboxylic acid groups. Polym. Degrad. Stabil. 2010, 95:684-693.
-
(2010)
Polym. Degrad. Stabil.
, vol.95
, pp. 684-693
-
-
Wieneke, J.U.1
Staudt, C.2
|