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Volumn 117, Issue 20, 2002, Pages 9383-9394

Thermodynamic consistency in dissipative particle dynamics simulations of strongly nonideal liquids and liquid mixtures

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; COMPRESSIBILITY; COMPUTER SIMULATION; EQUATIONS OF STATE; HYDRODYNAMICS; INTEGRAL EQUATIONS; LIQUIDS; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; POLYNOMIALS; THERMODYNAMIC PROPERTIES;

EID: 0037159996     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1515774     Document Type: Article
Times cited : (158)

References (28)
  • 20
    • 0012152392 scopus 로고    scopus 로고
    • note
    • The question whether to include the self-contribution into the density approximation (18) has been a controversial one also in the related Smoothed Particle Hydrodynamics method (Ref. 21) (see, for example, Refs. 22 and 23 for the two opposite points of view on this issue). Many authors choose to include the self-contribution, because in practice it may give better results due to partial (and totally uncontrolled) compensation of the error caused by particle correlations. That is pragmatic solution, only necessary if nothing else is done to improve upon Eq. (18). In this paper we develop a scheme providing a much better local-density approximation accuracy for strongly nonideal systems, hence we choose to exclude the self-contribution for consistency, so that the original MDPD local density approximation is accurate at least under the assumption (of no particle correlations) used by Pagonabarraga and Frenkel (Refs. 13, 14).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.