Permanent Set of Cross-Linking Networks:  Comparison of Theory with Molecular Dynamics Simulations

2006 ◽  
Vol 39 (16) ◽  
pp. 5521-5530 ◽  
Author(s):  
Dana R. Rottach ◽  
John G. Curro ◽  
Joanne Budzien ◽  
Gary S. Grest ◽  
Carsten Svaneborg ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Cross Linking ◽  
Permanent Set ◽  
Dynamics Simulations

scholarly journals Solving protein structures using short-distance cross-linking constraints as a guide for discrete molecular dynamics simulations

2017 ◽  
Vol 3 (7) ◽  
pp. e1700479 ◽  
Author(s):  
Nicholas I. Brodie ◽  
Konstantin I. Popov ◽  
Evgeniy V. Petrotchenko ◽  
Nikolay V. Dokholyan ◽  
Christoph H. Borchers
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Short Distance ◽  
Protein Structures ◽  
Cross Linking ◽  
Discrete Molecular Dynamics ◽  
Dynamics Simulations

Relative Reactivity Volume Criterion for Cross-Linking: Application to Vinyl Ester Resin Molecular Dynamics Simulations

2012 ◽  
Vol 45 (13) ◽  
pp. 5619-5619 ◽  
Author(s):  
Changwoon Jang ◽  
Thomas E. Lacy ◽  
Steven R. Gwaltney ◽  
Hossein Toghiani ◽  
Charles U. Pittman
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Vinyl Ester ◽  
Relative Reactivity ◽  
Cross Linking ◽  
Vinyl Ester Resin ◽  
Dynamics Simulations

Relative Reactivity Volume Criterion for Cross-Linking: Application to Vinyl Ester Resin Molecular Dynamics Simulations

2012 ◽  
Vol 45 (11) ◽  
pp. 4876-4885 ◽  
Author(s):  
Changwoon Jang ◽  
Thomas E. Lacy ◽  
Steven R. Gwaltney ◽  
Hossein Toghiani ◽  
Charles U. Pittman
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Vinyl Ester ◽  
Relative Reactivity ◽  
Cross Linking ◽  
Vinyl Ester Resin ◽  
Dynamics Simulations

scholarly journals Effects of precursor topology and synthesis under crowding conditions on the structure of single-chain polymer nanoparticles

Soft Matter ◽  
2017 ◽  
Vol 13 (37) ◽  
pp. 6430-6438 ◽  
Author(s):  
Maud Formanek ◽  
Angel J. Moreno
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Polymer Nanoparticles ◽  
Cross Linking ◽  
Single Chain ◽  
Chain Polymer ◽  
Ring Polymers ◽  
Concentrated Solution ◽  
Dynamics Simulations

By means of molecular dynamics simulations, we investigate the formation of single-chain nanoparticles through intramolecular cross-linking of linear and ring polymers, in the presence of their precursors acting as purely steric crowders in concentrated solution.

Molecular Dynamics Simulations of Polymer Networks Undergoing Sequential Cross-Linking and Scission Reactions

2007 ◽  
Vol 40 (1) ◽  
pp. 131-139 ◽  
Author(s):  
Dana R. Rottach ◽  
John G. Curro ◽  
Joanne Budzien ◽  
Gary S. Grest ◽  
Carsten Svaneborg ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Polymer Networks ◽  
Cross Linking ◽  
Dynamics Simulations
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