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Volumn 36, Issue 16, 1998, Pages 3001-3005

Chain-packing effects in the thermodynamics of polymers

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; MACROMOLECULES; MICROSTRUCTURE; MOLECULAR DYNAMICS; PACKING; SOLUBILITY; THERMODYNAMIC PROPERTIES;

EID: 0032208111     PISSN: 08876266     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1099-0488(19981130)36:16<3001::AID-POLB14>3.0.CO;2-H     Document Type: Article
Times cited : (14)

References (34)
  • 4
    • 0031141383 scopus 로고    scopus 로고
    • K. S. Schweizer, E. F. David, C. Singh, J. G. Curro, and J. J. Rajasekaran, Macromolecules, 28, 1528 (1995); K. W. Foreman and K. F. Freed, J. Chem. Phys., 106, 7422 (1997).
    • (1997) J. Chem. Phys. , vol.106 , pp. 7422
    • Foreman, K.W.1    Freed, K.F.2
  • 7
    • 0003527976 scopus 로고
    • Harper Collins,New York
    • For example, see: D. A. McQuarrie, Statistical Mechanics, Harper Collins,New York, 1973, p. 261; J. P. Hansen and I. R. McDonald, Liquids and Liquid Mixtures, Academic Press, New York, 1986, p. 181.
    • (1973) Statistical Mechanics , pp. 261
    • McQuarrie, D.A.1
  • 8
    • 11744364864 scopus 로고
    • Academic Press, New York
    • For example, see: D. A. McQuarrie, Statistical Mechanics, Harper Collins,New York, 1973, p. 261; J. P. Hansen and I. R. McDonald, Liquids and Liquid Mixtures, Academic Press, New York, 1986, p. 181.
    • (1986) Liquids and Liquid Mixtures , pp. 181
    • Hansen, J.P.1    McDonald, I.R.2
  • 18
    • 85034288150 scopus 로고    scopus 로고
    • note
    • It must be noted in this context that, even if the packing behavior were identical, the solubility parameters of the different polyolefins would be different because the interaction energies between pairs of methylene units are slightly different from pairs of methyl or methyne units.
  • 22
    • 85034277486 scopus 로고    scopus 로고
    • PhD Thesis, Princeton University
    • J. K. Maranas, PhD Thesis, Princeton University (1997),
    • (1997)
    • Maranas, J.K.1
  • 29
    • 85034283072 scopus 로고    scopus 로고
    • note
    • 22,23 with the following exception: these authors excluded the nonbonded interaction between one to five pairs because the proximity of this pair casts doubts of the united atom representation of the Lennard-Jones potential. However, we have found it necessary to include this interaction to properly model the experimental data.
  • 31
    • 85034292014 scopus 로고    scopus 로고
    • note
    • 2-Y) used in the united atom model, because a parallel set of simulations where the hydrogens were included explicitly gives a significantly better agreement between the WAXS and simulations. However, the united atom model appears to be more than adequate at representing structure at longer distances.
  • 33
    • 85034284477 scopus 로고    scopus 로고
    • note
    • 21 are not adopted in this work for simplicity.
  • 34
    • 85034300960 scopus 로고    scopus 로고
    • note
    • 3 groups depend on where they are attached, respectively, to secondary, tertiary, or quaternary carbon.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.