Quantitative study of diffusion jumps in atomistic simulations of model gas–polymer systems (English)
- New search for: Raptis, Theophanes E.
- New search for: Raptis, Vasilios E.
- New search for: Samios, Jannis
- New search for: Raptis, Theophanes E.
- New search for: Raptis, Vasilios E.
- New search for: Samios, Jannis
In:
Molecular Physics
;
110
, 11-12
;
1171-1178
;
2012
- Article (Journal) / Electronic Resource
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Title:Quantitative study of diffusion jumps in atomistic simulations of model gas–polymer systems
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Contributors:
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Published in:Molecular Physics ; 110, 11-12 ; 1171-1178
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Publisher:
- New search for: Taylor & Francis Group
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Publication date:2012-06-10
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Size:8 pages
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ISSN:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:English
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Keywords:
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Source:
Table of contents – Volume 110, Issue 11-12
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 1053
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Thermodynamics 2011 Conference Athens, Greece, 31 August–3 September 2011 http://www.thermodynamics2011.org/Jackson, George / Economou, Ioannis G. et al. | 2012
- 1057
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A hybrid formalism combining fluctuating hydrodynamics and generalized Langevin dynamics for the simulation of nanoparticle thermal motion in an incompressible fluid mediumUma, Balakrishnan / Eckmann, David M. / Ayyaswamy, Portonovo S. / Radhakrishnan, Ravi et al. | 2012
- 1069
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Thermodynamics of small systems embedded in a reservoir: a detailed analysis of finite size effectsSchnell, Sondre K. / Vlugt, Thijs J.H. / Simon, Jean-Marc / Bedeaux, Dick / Kjelstrup, Signe et al. | 2012
- 1081
-
Methodological approaches for the free energy calculations in electroactive SAMsFilippini, Gaëlle / Bonal, Christine / Malfreyt, Patrice et al. | 2012
- 1097
-
Molecular dynamics study of calcite, hydrate and the temperature effect on CO2 transport and adsorption stability in geological formationsVan Cuong, Phan / Kvamme, Bjørn / Kuznetsova, Tatiana / Jensen, Bjørnar et al. | 2012
- 1107
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Computation of the hindrance factor for the diffusion for nanoconfined ions: molecular dynamics simulations versus continuum-based modelsZhu, Haochen / Ghoufi, Aziz / Szymczyk, Anthony / Balannec, Béatrice / Morineau, Denis et al. | 2012
- 1115
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Development of a united-atom force field for 1-ethyl-3-methylimidazolium tetracyanoborate ionic liquidKoller, Thomas / Ramos, Javier / Garrido, Nuno M. / Fröba, Andreas P. / Economou, Ioannis G. et al. | 2012
- 1127
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Mesoscale simulations of curvature-inducing protein partitioning on lipid bilayer membranes in the presence of mean curvature fieldsLiu, Jin / Tourdot, Richard / Ramanan, Vyas / Agrawal, Neeraj J. / Radhakrishanan, Ravi et al. | 2012
- 1139
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Structure, thermodynamic and transport properties of imidazolium-based bis(trifluoromethylsulfonyl)imide ionic liquids from molecular dynamics simulationsAndroulaki, Eleni / Vergadou, Niki / Ramos, Javier / Economou, Ioannis G. et al. | 2012
- 1153
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Monte Carlo simulation of carbon monoxide, carbon dioxide and methane adsorption on activated carbonLithoxoos, George P. / Peristeras, Loukas D. / Boulougouris, Georgios C. / Economou, Ioannis G. et al. | 2012
- 1161
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Demixing and field-induced population inversion in a mixture of neutral and dipolar-hard spheres confined in a slit poreBrunet, C. / Malherbe, J.G. / Amokrane, S. et al. | 2012
- 1171
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Quantitative study of diffusion jumps in atomistic simulations of model gas–polymer systemsRaptis, Theophanes E. / Raptis, Vasilios E. / Samios, Jannis et al. | 2012
- 1179
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D2/H2 quantum sieving in microporous carbons: a theoretical study on the effects of pore size and pressureGotzias, A. / Steriotis, Th. et al. | 2012
- 1189
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SAFT- gamma force field for the simulation of molecular fluids: 3. Coarse-grained models of benzene and hetero-group models of n-decylbenzeneLafitte, T. / Avendano, C. / Papaioannou, V. / Galindo, A. / Adjiman, C.S. / Jackson, G. / Muller, E.A. et al. | 2012
- 1189
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SAFT-γ force field for the simulation of molecular fluids: 3. Coarse-grained models of benzene and hetero-group models of n-decylbenzeneLafitte, Thomas / Avendaño, Carlos / Papaioannou, Vasileios / Galindo, Amparo / Adjiman, Claire S. / Jackson, George / Müller, Erich A. et al. | 2012
- 1205
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Modeling the phase equilibria of a H2O–CO2 mixture with PC-SAFT and tPC-PSAFT equations of stateDiamantonis, Nikolaos I. / Economou, Ioannis G. et al. | 2012
- 1213
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On the limitation of the van der Waals-Platteeuw-based thermodynamic models for hydrates with multiple occupancy of cavitiesTsimpanogiannis, Ioannis N. / Papadimitriou, Nikolaos I. / Stubos, Athanassios K. et al. | 2012
- 1223
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Modelling the effect of methanol, glycol inhibitors and electrolytes on the equilibrium stability of hydrates with the SAFT-VR approachDufal, Simon / Galindo, Amparo / Jackson, George / Haslam, Andrew J. et al. | 2012
- 1241
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Surface phase transitions of multiple-site associating fluidsKhan, Sandip / Bhandary, Debdip / Singh, Jayant K. et al. | 2012
- 1249
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Cross-association of multi-component systemsLangenbach, K. / Enders, S. et al. | 2012
- 1261
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Systematic prediction of critical point coordinates from molecular parameters of equations of state and interaction potentialsdel Río, Fernando / Guzmán, Orlando et al. | 2012
- 1269
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A generic equation of state for liquid crystalline phases of hard-oblate particlesWu, L. / Wensink, H.H. / Jackson, G. / Müller, E.A. et al. | 2012
- 1289
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Adsorption compression in surface layersAbaza, S. / Aranovich, G.L. / Donohue, M.D. et al. | 2012
- 1299
-
Theory of hydrogen solubility in binary iron alloys based on ab initio calculation resultsMirzaev, D.A. / Mirzoev, A.A. / Okishev, K.Yu. / Rakitin, M.S. et al. | 2012
- 1305
-
Modelling the absorption refrigeration cycle using partially miscible working fluids by group contribution methodsLarkeche, O. / Meniai, A.-H. / Cachot, T. et al. | 2012
- 1317
-
Equation of state and liquid–vapour equilibrium in a triangle-well fluidRivera, L.D. / Robles, M. / de Haro, M. López et al. | 2012
- 1325
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Modelling the fluid phase behaviour of aqueous mixtures of multifunctional alkanolamines and carbon dioxide using transferable parameters with the SAFT-VR approachRodriguez, J. / Mac Dowell, N. / Llovell, F. / Adjiman, C.S. / Jackson, G. / Galindo, A. et al. | 2012
- 1349
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High-precision virial coefficients of argon and carbon dioxide from integration of speed of sound data in the pressure–temperature domainEstrada-Alexanders, Andrés F. / Guzmán, Orlando / Pérez-Vidal, Brenda et al. | 2012
- 1359
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Phase behaviour of hyperbranched polymers in demixed solventsSchrader, Philipp / Zeiner, Tim / Browarzik, Christina / Puyan, Mahmudian Jergarluee / Enders, Sabine et al. | 2012
- 1375
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Thermodynamic and kinetic evaluation of the polymerization process of epoxidized biodiesel with dicarboxylic anhydrideda Roza, Miriam B. / Nicolau, Aline / Angeloni, Luiz M. / Sidou, Pedro N. / Samios, Dimitrios et al. | 2012
- 1383
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Experimental determination and prediction of (solid+liquid) phase equilibria for binary mixtures of heavy alkanes and fatty acidsBenziane, Mokhtar / Khimeche, Kamel / Dahmani, Abdellah / Nezar, Sawsen / Trache, Djalal et al. | 2012
- 1391
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Influence of different alcohols on the swelling behaviour of hydrogelsAlthans, Daniel / Langenbach, Kai / Enders, Sabine et al. | 2012