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Volumn 120, Issue 3, 2004, Pages 1594-1601

Bead-bead interaction parameters in dissipative particle dynamics: Relation to bead-size, solubility parameter, and surface tension

Author keywords

[No Author keywords available]

Indexed keywords

BINARY MIXTURES; COMPUTER SIMULATION; EQUATIONS OF MOTION; MATHEMATICAL MODELS; ORGANIC POLYMERS; PARTICLE SIZE ANALYSIS; SOLUBILITY; SOLUTIONS; SURFACE TENSION;

EID: 1142303861     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1630294     Document Type: Article
Times cited : (294)

References (35)
  • 12
    • 1142290320 scopus 로고    scopus 로고
    • note
    • It should be noted that for small ρ(≪ 1) the value of α is not a constant (as can be guessed from Table V itself), and in fact is strongly ρ-dependent. Therefore, the present theory does not apply to gases.
  • 13
    • 1142290323 scopus 로고    scopus 로고
    • note
    • B, which is a contradiction.
  • 14
    • 1142290324 scopus 로고    scopus 로고
    • note
    • BB.
  • 15
    • 1142266061 scopus 로고    scopus 로고
    • note
    • critical=2.
  • 17
    • 1142278134 scopus 로고    scopus 로고
    • note
    • AA as a function of bead-size. However, that leads to an increasing surface tension as a function of bead-size, as shown in Sec. IV of the text.
  • 19
    • 1142266056 scopus 로고    scopus 로고
    • Amorphous cell is a module in the Materials Studio Modeling software package from Accelrys Inc.
    • Amorphous cell is a module in the Materials Studio Modeling software package from Accelrys Inc. See, http://www.accelrys.com/mstudio/ms_modeling/amorphous.html
  • 21
    • 1142302422 scopus 로고    scopus 로고
    • Discover is a module in the Materials Studio Modeling software package from Accelrys Inc.
    • Discover is a module in the Materials Studio Modeling software package from Accelrys Inc. See, http://www.accelrys.com/mstudio/ms_modeling/discover.html
  • 23
    • 0003595057 scopus 로고
    • A. F. M. Barton, editor; (CRC, Boca Raton, FL)
    • A. F. M. Barton, editor, Handbook of Solubility Parameters (CRC, Boca Raton, FL, 1983).
    • (1983) Handbook of Solubility Parameters
  • 28
    • 1142302425 scopus 로고    scopus 로고
    • note
    • AA = 25. See Fig. 3 of Ref. 14.
  • 29
    • 1142278130 scopus 로고    scopus 로고
    • See Accelrys page: http://www.accelrys.com/mstudio/ms_modeling/dpd.html
  • 30
    • 1142290322 scopus 로고    scopus 로고
    • note
    • For DPD simulations with polymers, an extra "spring-interaction" term is added between connected beads. A form proportional to the bead-bead separation was used in our simulations of Table V, with a spring-constant of 4.0.
  • 34
    • 1142302426 scopus 로고    scopus 로고
    • note
    • For larger values of a one needs to use smaller time-steps of integration in order to avoid numerical instability. Thus for a = 25, one can safely use a time-step of 0.05, while for a = 300 one needs to reduce the time-step to ∼0.02 (in DPD units).
  • 35
    • 1142266060 scopus 로고    scopus 로고
    • note
    • 3ρ at a = 25.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.