Virtual Synthesis of Thermally Cross-Linked Copolymers from a Novel Implementation of Polymatic

作者: Lauren J. Abbott , Justin E. Hughes , Coray M. Colina

DOI: 10.1021/JP409664D

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摘要: … of the Polymatic simulated polymerization algorithm, where linear polymers are first … the swelling of the polymers upon absorption of oil decreased with larger cross-linking degrees. (24) …

参考文章(47)
Fu Yun Li, Youchang Xiao, Tai-Shung Chung, Sibudjing Kawi, High-Performance Thermally Self-Cross-Linked Polymer of Intrinsic Microporosity (PIM-1) Membranes for Energy Development Procedia Engineering. ,vol. 44, pp. 498- 500 ,(2012) , 10.1021/MA202667Y
Armand Soldera, Noureddine Metatla, Glass transition of polymers: atomistic simulation versus experiments. Physical Review E. ,vol. 74, pp. 061803- 061803 ,(2006) , 10.1103/PHYSREVE.74.061803
Farida Darkrim, Dominique Levesque, Monte Carlo simulations of hydrogen adsorption in single-walled carbon nanotubes Journal of Chemical Physics. ,vol. 109, pp. 4981- 4984 ,(1998) , 10.1063/1.477109
Amanda G. McDermott, Gregory S. Larsen, Peter M. Budd, Coray M. Colina, James Runt, Structural Characterization of a Polymer of Intrinsic Microporosity: X-ray Scattering with Interpretation Enhanced by Molecular Dynamics Simulations Macromolecules. ,vol. 44, pp. 14- 16 ,(2011) , 10.1021/MA1024945
Christopher I. Bayly, Piotr Cieplak, Wendy Cornell, Peter A. Kollman, A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model The Journal of Physical Chemistry. ,vol. 97, pp. 10269- 10280 ,(1993) , 10.1021/J100142A004
Lauren J. Abbott, Amanda G. McDermott, Annalaura Del Regno, Rupert G. D. Taylor, C. Grazia Bezzu, Kadhum J. Msayib, Neil B. McKeown, Flor R. Siperstein, James Runt, Coray M. Colina, Characterizing the Structure of Organic Molecules of Intrinsic Microporosity by Molecular Simulations and X-ray Scattering Journal of Physical Chemistry B. ,vol. 117, pp. 355- 364 ,(2013) , 10.1021/JP308798U
Yali Luo, Buyi Li, Wei Wang, Kangbing Wu, Bien Tan, Hypercrosslinked Aromatic Heterocyclic Microporous Polymers: A New Class of Highly Selective CO2 Capturing Materials Advanced Materials. ,vol. 24, pp. 5703- 5707 ,(2012) , 10.1002/ADMA.201202447
Henning Hörstermann, Reinhard Hentschke, Marc Amkreutz, Michael Hoffmann, Martin Wirts-Rütters, Predicting Water Sorption and Volume Swelling in Dense Polymer Systems via Computer Simulation Journal of Physical Chemistry B. ,vol. 114, pp. 17013- 17024 ,(2010) , 10.1021/JP105210Y