Theory of the Effects of Specific Attractions and Chain Connectivity on the Activated Dynamics and Selective Transport of Penetrants in Polymer Melts

Mei, Baicheng; Schweizer, Kenneth S.

doi:10.1021/acs.macromol.2c01549

Theory of the Effects of Specific Attractions and Chain Connectivity on the Activated Dynamics and Selective Transport of Penetrants in Polymer Melts

Journal Article · Wed Oct 05 04:00:00 EDT 2022 · Macromolecules

DOI:https://doi.org/10.1021/acs.macromol.2c01549· OSTI ID:2421651

^[1]; Schweizer, Kenneth S. ^[2]

Department of Materials Science, University of Illinois, Urbana, Illinois61801, United States; Materials Research Laboratory, University of Illinois, Urbana, Illinois61801, United States; OSTI
Department of Materials Science, University of Illinois, Urbana, Illinois61801, United States; Department of Chemistry, University of Illinois, Urbana, Illinois61801, United States; Department of Chemical and Biomolecular Engineering, University of Illinois, Urbana, Illinois61801, United States; Materials Research Laboratory, University of Illinois, Urbana, Illinois61801, United States

Not provided.

Research Organization:: Univ. of Illinois at Urbana-Champaign, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

DOE Contract Number:: SC0020858

OSTI ID:: 2421651

Journal Information:: Macromolecules, Journal Name: Macromolecules Journal Issue: 20 Vol. 55; ISSN 0024-9297

Publisher:: American Chemical Society

Country of Publication:: United States

Language:: English

References (53)

Microscopic Theory of Softness in Supercooled Liquids Nandi, Manoj Kumar; Bhattacharyya, Sarika Maitra Physical Review Letters, Vol. 126, Issue 20 https://doi.org/10.1103/PhysRevLett.126.208001	journal	May 2021
Stimuli-responsive polymer hydrogels as a new class of draw agent for forward osmosis desalination Li, Dan; Zhang, Xinyi; Yao, Jianfeng Chemical Communications, Vol. 47, Issue 6 https://doi.org/10.1039/c0cc04701e	journal	January 2011
Molecular Simulation of Permeation of Small Penetrants through Membranes. 1. Diffusion Coefficients Tamai, Yoshinori; Tanaka, Hideki; Nakanishi, Koichiro Macromolecules, Vol. 27, Issue 16 https://doi.org/10.1021/ma00094a011	journal	August 1994
Application of free-volume theory to self diffusion of solvents in polymers below the glass transition temperature: A review Ramesh, N.; Davis, P. K.; Zielinski, J. M. Journal of Polymer Science Part B: Polymer Physics, Vol. 49, Issue 23 https://doi.org/10.1002/polb.22366	journal	September 2011
Elucidation of the physical factors that control activated transport of penetrants in chemically complex glass-forming liquids Mei, Baicheng; Sheridan, Grant S.; Evans, Christopher M. Proceedings of the National Academy of Sciences, Vol. 119, Issue 41 https://doi.org/10.1073/pnas.2210094119	journal	October 2022
Molecular Simulations of Solute Transport in Polymer Melts Zhang, Kai; Kumar, Sanat K. ACS Macro Letters, Vol. 6, Issue 8 https://doi.org/10.1021/acsmacrolett.7b00339	journal	July 2017
Light Scattering of Stiff Chain Polymers Koyama, Ryuzo Journal of the Physical Society of Japan, Vol. 34, Issue 4 https://doi.org/10.1143/JPSJ.34.1029	journal	April 1973
Nonuniversal Coupling of Cage Scale Hopping and Collective Elastic Distortion as the Origin of Dynamic Fragility Diversity in Glass-Forming Polymer Liquids Xie, Shi-Jie; Schweizer, Kenneth S. Macromolecules, Vol. 49, Issue 24 https://doi.org/10.1021/acs.macromol.6b02272	journal	December 2016
Coarse-grained molecular dynamics simulation of activated penetrant transport in glassy polymers Zhang, Kai; Meng, Dong; Müller-Plathe, Florian Soft Matter, Vol. 14, Issue 3 https://doi.org/10.1039/C7SM01941F	journal	January 2018
Microscopic Theory of the Effect of Caging and Physical Bonding on Segmental Relaxation in Associating Copolymer Liquids Ghosh, Ashesh; Schweizer, Kenneth S. Macromolecules, Vol. 53, Issue 11 https://doi.org/10.1021/acs.macromol.0c00415	journal	May 2020
Thermodynamics–Structure–Dynamics Correlations and Nonuniversal Effects in the Elastically Collective Activated Hopping Theory of Glass-Forming Liquids Mei, Baicheng; Zhou, Yuxing; Schweizer, Kenneth S. The Journal of Physical Chemistry B, Vol. 124, Issue 28 https://doi.org/10.1021/acs.jpcb.0c03613	journal	July 2020
Experimental Tests of a Theoretically Predicted Noncausal Correlation between Dynamics and Thermodynamics in Glass-forming Polymer Melts Mei, Baicheng; Zhou, Yuxing; Schweizer, Kenneth S. Macromolecules, Vol. 54, Issue 21 https://doi.org/10.1021/acs.macromol.1c01633	journal	October 2021
Enhanced Heterogeneous Diffusion of Nanoparticles in Semiflexible Networks Xu, Ziyang; Dai, Xiaobin; Bu, Xiangyu ACS Nano, Vol. 15, Issue 3 https://doi.org/10.1021/acsnano.0c08877	journal	February 2021
Diffusion in polymer—solvent systems. I. Reexamination of the free-volume theory Vrentas, J. S.; Duda, J. L. Journal of Polymer Science: Polymer Physics Edition, Vol. 15, Issue 3 https://doi.org/10.1002/pol.1977.180150302	journal	March 1977
Structural Relaxation and Vitrification in Dense Cross-Linked Polymer Networks: Simulation, Theory, and Experiment Mei, Baicheng; Lin, Tsai-Wei; Sheridan, Grant S. Macromolecules, Vol. 55, Issue 10 https://doi.org/10.1021/acs.macromol.2c00277	journal	May 2022
Brownian motion in a field of force and the diffusion model of chemical reactions Kramers, H. A. Physica, Vol. 7, Issue 4 https://doi.org/10.1016/S0031-8914(40)90098-2	journal	April 1940
Size-dependent penetrant diffusion in polymer glasses Meng, Dong; Zhang, Kai; Kumar, Sanat K. Soft Matter, Vol. 14, Issue 21 https://doi.org/10.1039/C8SM00701B	journal	January 2018
Elastically cooperative activated barrier hopping theory of relaxation in viscous fluids. I. General formulation and application to hard sphere fluids Mirigian, Stephen; Schweizer, Kenneth S. The Journal of Chemical Physics, Vol. 140, Issue 19 https://doi.org/10.1063/1.4874842	journal	May 2014
Hopping Diffusion of Nanoparticles in Polymer Matrices Cai, Li-Heng; Panyukov, Sergey; Rubinstein, Michael Macromolecules, Vol. 48, Issue 3 https://doi.org/10.1021/ma501608x	journal	January 2015
Elastically cooperative activated barrier hopping theory of relaxation in viscous fluids. II. Thermal liquids Mirigian, Stephen; Schweizer, Kenneth S. The Journal of Chemical Physics, Vol. 140, Issue 19 https://doi.org/10.1063/1.4874843	journal	May 2014
Pushing the limits on possibilities for large scale gas separation: which strategies? Koros, William J.; Mahajan, Rajiv Journal of Membrane Science, Vol. 175, Issue 2 https://doi.org/10.1016/S0376-7388(00)00418-X	journal	August 2000
Irreversible reorganization in a supercooled liquid originates from localized soft modes Widmer-Cooper, Asaph; Perry, Heidi; Harrowell, Peter Nature Physics, Vol. 4, Issue 9 https://doi.org/10.1038/nphys1025	journal	July 2008
Activated penetrant dynamics in glass forming liquids: size effects, decoupling, slaving, collective elasticity and correlation with matrix compressibility Mei, Baicheng; Schweizer, Kenneth S. Soft Matter, Vol. 17, Issue 9 https://doi.org/10.1039/D0SM02215B	journal	January 2021
Fundamental water and salt transport properties of polymeric materials Geise, Geoffrey M.; Paul, Donald R.; Freeman, Benny D. Progress in Polymer Science, Vol. 39, Issue 1 https://doi.org/10.1016/j.progpolymsci.2013.07.001	journal	January 2014
Local structure of semiflexible polymer melts Honnell, Kevin G.; Curro, John G.; Schweizer, Kenneth S. Macromolecules, Vol. 23, Issue 14 https://doi.org/10.1021/ma00216a018	journal	July 1990
Understanding the Roles of Mesh Size, T_g, and Segmental Dynamics on Probe Diffusion in Dense Polymer Networks Sheridan, Grant S.; Evans, Christopher M. Macromolecules, Vol. 54, Issue 23 https://doi.org/10.1021/acs.macromol.1c01767	journal	November 2021
Entropic barriers, activated hopping, and the glass transition in colloidal suspensions Schweizer, Kenneth S.; Saltzman, Erica J. The Journal of Chemical Physics, Vol. 119, Issue 2 https://doi.org/10.1063/1.1578632	journal	July 2003
Tuning Selectivities in Gas Separation Membranes Based on Polymer-Grafted Nanoparticles Bilchak, Connor R.; Jhalaria, Mayank; Huang, Yucheng ACS Nano, Vol. 14, Issue 12 https://doi.org/10.1021/acsnano.0c07049	journal	November 2020
Correlation between dynamical and structural heterogeneities in colloidal hard-sphere suspensions Golde, Sebastian; Palberg, Thomas; Schöpe, Hans Joachim Nature Physics, Vol. 12, Issue 7 https://doi.org/10.1038/nphys3709	journal	March 2016
Theory of the effect of external stress on the activated dynamics and transport of dilute penetrants in supercooled liquids and glasses Mei, Baicheng; Schweizer, Kenneth S. The Journal of Chemical Physics, Vol. 155, Issue 5 https://doi.org/10.1063/5.0056920	journal	August 2021
Experimental test of a predicted dynamics–structure–thermodynamics connection in molecularly complex glass-forming liquids Mei, Baicheng; Zhou, Yuxing; Schweizer, Kenneth S. Proceedings of the National Academy of Sciences, Vol. 118, Issue 18 https://doi.org/10.1073/pnas.2025341118	journal	April 2021
Diffusion and Mass Transfer Vrentas, James S.; Vrentas, Christine M. https://doi.org/10.1201/b12923	book	March 2013
Synthesis and application of thermally reversible heterogels for drug delivery Dong, Liang-Chang; Hoffman, Allan S. Journal of Controlled Release, Vol. 13, Issue 1 https://doi.org/10.1016/0168-3659(90)90071-Z	journal	July 1990
Direct Evidence of Void-Induced Structural Relaxations in Colloidal Glass Formers Yip, Cho-Tung; Isobe, Masaharu; Chan, Chor-Hoi Physical Review Letters, Vol. 125, Issue 25 https://doi.org/10.1103/PhysRevLett.125.258001	journal	December 2020
Modeling gas transport in polymer-grafted nanoparticle membranes Barnett, J. Wesley; Kumar, Sanat K. Soft Matter, Vol. 15, Issue 3 https://doi.org/10.1039/C8SM02235F	journal	January 2019
Attractive versus truncated repulsive supercooled liquids: The dynamics is encoded in the pair correlation function Landes, François P.; Biroli, Giulio; Dauchot, Olivier Physical Review E, Vol. 101, Issue 1 https://doi.org/10.1103/PhysRevE.101.010602	journal	January 2020
Hydrogels and drug delivery Peppas, Nikolaos A. Current Opinion in Colloid & Interface Science, Vol. 2, Issue 5 https://doi.org/10.1016/S1359-0294(97)80103-3	journal	October 1997
Correlated matrix-fluctuation-mediated activated transport of dilute penetrants in glass-forming liquids and suspensions Zhang, Rui; Schweizer, Kenneth S. The Journal of Chemical Physics, Vol. 146, Issue 19 https://doi.org/10.1063/1.4983224	journal	May 2017
How the Shape and Chemistry of Molecular Penetrants Control Responsive Hydrogel Permeability Kanduč, Matej; Kim, Won Kyu; Roa, Rafael ACS Nano, Vol. 15, Issue 1 https://doi.org/10.1021/acsnano.0c06319	journal	December 2020
Local-Average Free Volume Correlates with Dynamics in Glass Formers Mei, Baicheng; Zhuang, Bilin; Lu, Yuyuan The Journal of Physical Chemistry Letters, Vol. 13, Issue 17 https://doi.org/10.1021/acs.jpclett.2c00072	journal	April 2022
Dynamics of Nanoparticles in Polydisperse Polymer Networks: from Free Diffusion to Hopping Sorichetti, Valerio; Hugouvieux, Virginie; Kob, Walter Macromolecules, Vol. 54, Issue 18 https://doi.org/10.1021/acs.macromol.1c01394	journal	September 2021
Dynamical Theory of Segmental Relaxation and Emergent Elasticity in Supercooled Polymer Melts Mirigian, Stephen; Schweizer, Kenneth S. Macromolecules, Vol. 48, Issue 6 https://doi.org/10.1021/ma5022083	journal	March 2015
Integral equation theory of thermodynamics, pair structure, and growing static length scale in metastable hard sphere and Weeks-Chandler-Andersen fluids Zhou, Yuxing; Mei, Baicheng; Schweizer, Kenneth S. Physical Review E, Vol. 101, Issue 4 https://doi.org/10.1103/PhysRevE.101.042121	journal	April 2020
The solution-diffusion model: a review Wijmans, J. G.; Baker, R. W. Journal of Membrane Science, Vol. 107, Issue 1-2 https://doi.org/10.1016/0376-7388(95)00102-I	journal	November 1995
Reaction-rate theory: fifty years after Kramers Hänggi, Peter; Talkner, Peter; Borkovec, Michal Reviews of Modern Physics, Vol. 62, Issue 2 https://doi.org/10.1103/RevModPhys.62.251	journal	April 1990
Self-Healing Polymers and Composites Blaiszik, B. J.; Kramer, S. L. B.; Olugebefola, S. C. Annual Review of Materials Research, Vol. 40, Issue 1, p. 179-211 https://doi.org/10.1146/annurev-matsci-070909-104532	journal	June 2010
50th Anniversary Perspective : Polymers and Mixed Matrix Membranes for Gas and Vapor Separation: A Review and Prospective Opportunities Galizia, Michele; Chi, Won Seok; Smith, Zachary P. Macromolecules, Vol. 50, Issue 20 https://doi.org/10.1021/acs.macromol.7b01718	journal	October 2017
Polymers with autonomous life-cycle control Patrick, Jason F.; Robb, Maxwell J.; Sottos, Nancy R. Nature, Vol. 540, Issue 7633 https://doi.org/10.1038/nature21002	journal	December 2016
Energy-efficient polymeric gas separation membranes for a sustainable future: A review Sanders, David F.; Smith, Zachary P.; Guo, Ruilan Polymer, Vol. 54, Issue 18 https://doi.org/10.1016/j.polymer.2013.05.075	journal	August 2013
Activated relaxation in supercooled monodisperse atomic and polymeric WCA fluids: Simulation and ECNLE theory Zhou, Yuxing; Mei, Baicheng; Schweizer, Kenneth S. The Journal of Chemical Physics, Vol. 156, Issue 11 https://doi.org/10.1063/5.0079221	journal	March 2022
Designing hydrogels for controlled drug delivery Li, Jianyu; Mooney, David J. Nature Reviews Materials, Vol. 1, Issue 12 https://doi.org/10.1038/natrevmats.2016.71	journal	October 2016
Critical-like behaviour of glass-forming liquids Tanaka, Hajime; Kawasaki, Takeshi; Shintani, Hiroshi Nature Materials, Vol. 9, Issue 4 https://doi.org/10.1038/nmat2634	journal	February 2010
Derivation of a microscopic theory of barriers and activated hopping transport in glassy liquids and suspensions Schweizer, Kenneth S. The Journal of Chemical Physics, Vol. 123, Issue 24 https://doi.org/10.1063/1.2137701	journal	December 2005

Similar Records

Penetrant shape effects on activated dynamics and selectivity in polymer melts and networks based on self-consistent cooperative hopping theory

Journal Article · Sat Dec 31 19:00:00 EST 2022 · Soft Matter · OSTI ID:2578261

Theory of the effect of external stress on the activated dynamics and transport of dilute penetrants in supercooled liquids and glasses

Journal Article · Tue Aug 03 20:00:00 EDT 2021 · Journal of Chemical Physics · OSTI ID:1853677

Theory and Simulation of Attractive Nanoparticle Transport in Polymer Melts

Journal Article · Mon Mar 05 19:00:00 EST 2018 · Macromolecules · OSTI ID:1430614

Related Subjects

Polymer Science

Theory of the Effects of Specific Attractions and Chain Connectivity on the Activated Dynamics and Selective Transport of Penetrants in Polymer Melts

Citation Formats

References (53)

Similar Records

Related Subjects