Temperature and pressure effects on local structure and chain packing in cis-1, 4-polybutadiene from detailed molecular dynamics simulations

Macromolecular Theory and Simulations

Volumn 15, Issue 5, 2006, Pages 381-393

  Tsolou, Georgia ^a,b   Harmandaris, Vagelis A ^a,c   Mavrantzas, Vlasis G ^a,b  

^a INSTITUTE OF CHEMICAL ENGINEERING SCIENCES   (Greece)

^b UNIVERSITY OF PATRAS   (Greece)

^c MAX PLANCK INSTITUTE FOR POLYMER RESEARCH   (Germany)

Author keywords

Molecular dynamics; Polyhutadiene; Pressure; Static structure factor; Structure; Temperature

Indexed keywords

CHEMICAL COMPOUNDS; SIMULATION; THERMAL EFFECTS;

CIS-1,4-POLYBUTADIENE; POLYHUTADIENE; POLYMER SYSTEM; STATIC STRUCTURE FACTOR;

MOLECULAR DYNAMICS;

EID: 33750906778     PISSN: 10221344     EISSN: 15213919     Source Type: Journal    
DOI: 10.1002/mats.200500088     Document Type: Article

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