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Volumn 109, Issue 23, 1998, Pages 10499-10512

Density pair correlation functions for molecular liquids: Approximations for polymers

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0005679156     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.477732     Document Type: Article
Times cited : (9)

References (48)
  • 3
    • 0001013241 scopus 로고
    • in edited by E. W. Montroll and J. L. Lebowitz North-Holland, Amsterdam
    • D. Chandler, in Studies in Statistical Mechanics, edited by E. W. Montroll and J. L. Lebowitz (North-Holland, Amsterdam, 1982), Vol. 8, p. 275.
    • (1982) Studies in Statistical Mechanics , vol.8 , pp. 275
    • Chandler, D.1
  • 6
    • 0000960342 scopus 로고
    • See also:
    • See also: F. Oosawa, Biopolymers 6, 134 (1968).
    • (1968) Biopolymers , vol.6 , pp. 134
    • Oosawa, F.1
  • 9
    • 22244466218 scopus 로고    scopus 로고
    • note
    • It is interesting that the RPA theory is also in reasonable agreement with simulation for the peak position of the total monomer-monomer structure factor, although the scaling with density is not quite correct (see Ref. 15).
  • 34
    • 22244483556 scopus 로고    scopus 로고
    • private communication
    • D. T. Wu (private communication).
    • Wu, D.T.1
  • 35
    • 22244484548 scopus 로고    scopus 로고
    • note
    • On the other hand, symmetry considerations would lead one to expect that η=1/2 would be the optimal choice. However, we are interested primarily in this work in how the inclusion of monomer level correlations alters the prediction of the theory in a model where the LWC theory seems to perform satisfactory. We regard 1/4 as the minimum value that the exponent η can have (η=0 being LWC) and so use that value here. For our results in this work, the quantitative difference between using 1/4 and 1/2 is small. For the case considered in Fig. 2, the peak value of g(r) is 1.19 using η=1/2, while it is 1.27 using η=1/4.
  • 41
    • 22244478432 scopus 로고    scopus 로고
    • note
    • Of course, when the polymer concentration approaches melt values, hard-core interactions, neglected in our theory here, will cause the solvation ordering to increase once again.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.