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Volumn 43, Issue 16, 2010, Pages 6886-6902

Flow effects on melt structure and entanglement network of linear polymers: Results from a nonequilibrium molecular dynamics simulation study of a polyethylene melt in steady shear

Author keywords

[No Author keywords available]

Indexed keywords

AVERAGE VALUES; CHAIN DISENTANGLEMENT; CHAIN ORIENTATION; CONFORMATION TENSOR; CONTOUR LENGTHS; END-TO-END DISTANCES; ENTANGLEMENT NETWORKS; FLOW BIREFRINGENCE; FLOW EFFECTS; FLOW STRENGTH; HIGHLY NONLINEAR; INTERACTION ENERGIES; ISO SURFACE; LARGE SYSTEM; LINEAR POLYETHYLENE; LINEAR POLYMERS; MATERIAL FUNCTION; MEAN VALUES; MEAN-SQUARE; MELT STRUCTURES; MOLECULAR SHAPES; NON EQUILIBRIUM; NONEQUILIBRIUM MOLECULAR DYNAMICS SIMULATION; NORMAL STRESS DIFFERENCE; NUMBER AND SIZE; NUMBER DENSITY; ORDER PARAMETER; ORIENTATION ANGLES; PAIR DISTRIBUTION FUNCTIONS; POLYETHYLENE MELT; PRIMITIVE PATH; RADIUS OF GYRATION; RELATIVE IMPORTANCE; RHEO-OPTICAL; RHEOLOGICAL PROPERTY; SHEAR COMPLIANCE; SHEAR RATES; SHEAR-THINNING BEHAVIOR; STATISTICAL PROPERTIES; STEADY SHEAR; TOPOLOGICAL NETWORKS; TOPOLOGICAL PROPERTIES;

EID: 77955755426     PISSN: 00249297     EISSN: None     Source Type: Journal    
DOI: 10.1021/ma100826u     Document Type: Article
Times cited : (172)

References (112)
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    • Z1 code online for testing at
    • Z1 code online for testing at http://www.complexfluids.ethz.ch/cgi-bin/ Z1.
  • 72
    • 34547809547 scopus 로고
    • J. Chem. Phys. 1984, 81, 511.
    • (1984) J. Chem. Phys. , vol.81 , pp. 511
  • 100
    • 77955731458 scopus 로고    scopus 로고
    • The isosurface plots shown in Figure 6 of ref 12 were made based on the relative monomer density compared to the maximum monomer density in the segment cloud, whereas the plots presented in Figure 10 in this study have been made based on the percentage of the total number of monomers in the chain. Although both descriptions are equally capable of representing the general feature of segmental distribution of chain, it seems that the present approach based on the percentage of the total number of monomers is more representative of intrinsic molecular shape than that employed in ref 12, since the maximum segmental density may be largely fluctuating (statistically less accurate) depending on the system conditions and also may exhibit an abnormally large (or small) value for some irregular systems
    • The isosurface plots shown in Figure 6 of ref 12 were made based on the relative monomer density compared to the maximum monomer density in the segment cloud, whereas the plots presented in Figure 10 in this study have been made based on the percentage of the total number of monomers in the chain. Although both descriptions are equally capable of representing the general feature of segmental distribution of chain, it seems that the present approach based on the percentage of the total number of monomers is more representative of intrinsic molecular shape than that employed in ref 12, since the maximum segmental density may be largely fluctuating (statistically less accurate) depending on the system conditions and also may exhibit an abnormally large (or small) value for some irregular systems.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.