Assessing the effect of molecular weight on the kinetics of backbone scission reactions in polyethylene using reactive molecular dynamics

Polymer

Volumn 52, Issue 14, 2011, Pages 3104-3111

  Smith, K D ^a,e   Bruns, M ^b   Stoliarov, S I ^c   Nyden, M R ^d   Ezekoye, O A ^b   Westmoreland, P R ^a,e,f  

^a University of Massachusetts   (United States)

^b The University of Texas at Austin   (United States)

^c UNIVERSITY OF MARYLAND   (United States)

^d NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY   (United States)

^e UNITED TECHNOLOGIES RESEARCH CENTER   (United States)

^f North Carolina State University   (United States)

Author keywords

Backbone scission; Polyethylene; Reactive molecular dynamics

Indexed keywords

C++ (PROGRAMMING LANGUAGE); DECOMPOSITION; OPEN SYSTEMS; POLYETHYLENES; POTENTIAL ENERGY; REACTION KINETICS;

ARRHENIUS PARAMETERS; BACKBONE SCISSION; DEGREE OF POLYMERIZATION; POLYMER DECOMPOSITION; REACTIVE FORCE FIELD; REACTIVE MOLECULAR DYNAMICS; REACTIVE POTENTIALS; SCISSION REACTIONS;

MOLECULAR DYNAMICS;

EID: 79958787696     PISSN: 00323861     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.polymer.2011.04.035     Document Type: Article

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