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Volumn 113, Issue 15, 2000, Pages 6025-6028

Dielectric relaxation of hot water

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; DENSITY OF LIQUIDS; ELECTRONIC STRUCTURE; MICROWAVE SPECTROSCOPY; MOLECULAR DYNAMICS; MOLECULAR ORIENTATION; THERMAL EFFECTS; WATER;

EID: 0034297616     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1315991     Document Type: Article
Times cited : (22)

References (31)
  • 2
    • 0000752452 scopus 로고
    • M. N. Afsar and J. B. Hasted, J. Opt. Soc. Am. 67, 902 (1977); J. B. Hasted, S. K. Husain, F. A. M. Frescura, and J. R. Birch, Chem. Phys. Lett. 118, 622 (1985).
    • (1977) J. Opt. Soc. Am. , vol.67 , pp. 902
    • Afsar, M.N.1    Hasted, J.B.2
  • 12
    • 0032606935 scopus 로고    scopus 로고
    • (b) 110, 9656 (1999).
    • (1999) J. Chem. Phys. , vol.110 , pp. 9656
  • 14
    • 0342705781 scopus 로고    scopus 로고
    • note
    • (a) To check the dependence of our findings on the system size and potential model, we have also conducted test simulations with the nonpolarizable SPC model (Ref. 23) for 600 ps at 573 K, employing three different system sizes, 128, 256, and 512 molecules.
  • 15
    • 0343575897 scopus 로고    scopus 로고
    • note
    • (b) The test simulation results for the dielectric relaxation trend with density show a good agreement with TAB/10D and do not vary with the system size.
  • 19
    • 0342705779 scopus 로고    scopus 로고
    • note
    • This is the average duration of inertial rotation. In the literature, it is often referred to as the "collision time" (see Refs. 10-12).
  • 20
    • 0343575896 scopus 로고    scopus 로고
    • note
    • ran (Ref. 10).
  • 21
    • 0343575895 scopus 로고    scopus 로고
    • note
    • B is Boltzmann's constant. We employed r=0.96 Å following Ref. 5(b).
  • 23
    • 36549092489 scopus 로고
    • M. Neumann, J. Chem. Phys. 82, 5663 (1985); 85, 1567 (1986).
    • (1986) J. Chem. Phys. , vol.85 , pp. 1567
  • 24
    • 0342270642 scopus 로고    scopus 로고
    • note
    • M(t) at t = 1 ps are ±0.025 for both cases], it is difficult to draw a definite conclusion on the relative speed of their diffusive relaxations.
  • 27
    • 0342270640 scopus 로고    scopus 로고
    • note
    • 2), where n and ᾱ are the number density and average molecular polarizability of the solvent and V is the volume of the simulation cell. For further details, see Ref. 6.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.