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Volumn 101, Issue 6, 1997, Pages 1063-1071

A compressible continuum model study of the chloride plus methyl chloride reaction in supercritical water

Author keywords

[No Author keywords available]

Indexed keywords

CHLORINE COMPOUNDS; COMPUTER SIMULATION; FREE ENERGY; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; SOLVENTS; THERMODYNAMICS; WATER;

EID: 0031555760     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9628601     Document Type: Article
Times cited : (25)

References (69)
  • 7
    • 5844258569 scopus 로고
    • Supercritical Fluids; Squires. T. G., Paulaitis, M. E., Eds.; American Chemical Society: Washington, DC
    • Antal Jr., M. J.; Brittain, A.; DeAleida, C.; Ramayya, S.; Roy, J. C. In Supercritical Fluids; Squires. T. G., Paulaitis, M. E., Eds.; ACS Symposium Series 329; American Chemical Society: Washington, DC, 1987.
    • (1987) ACS Symposium Series 329
    • Antal Jr., M.J.1    Brittain, A.2    Dealeida, C.3    Ramayya, S.4    Roy, J.C.5
  • 12
    • 5844265097 scopus 로고
    • Structure and Reactivity in Aqueous Solution; Truhlar, D. G., Cramer, C. J., Eds.; American Chemical Society: Washington, DC
    • Tucker, S. C.; Gibbons, E. M. In Structure and Reactivity in Aqueous Solution; Truhlar, D. G., Cramer, C. J., Eds.; ACS Symposium Series; American Chemical Society: Washington, DC, 1994.
    • (1994) ACS Symposium Series
    • Tucker, S.C.1    Gibbons, E.M.2
  • 40
    • 5844258567 scopus 로고    scopus 로고
    • note
    • A fourth pressure was not considered because the change in the rate with pressure was too small to yield a conclusive comparison with theory.
  • 44
    • 0346751196 scopus 로고
    • Balbuena, P. B.: Johnston, K. P.; Rossky, P. J. J. Phys. Chem. 1995, 99, 5196; J. Am. Chem. Soc. 1994, 116, 2689.
    • (1994) J. Am. Chem. Soc. , vol.116 , pp. 2689
  • 55
    • 5844241795 scopus 로고    scopus 로고
    • note
    • The reaction path dependence of the R′ set was taken to be the same the R set.
  • 67
    • 5844241797 scopus 로고    scopus 로고
    • note
    • The IC results are as recalculated by us. Deviations from those presented in ref 41 falls within the numerical error of our finite difference calculation.
  • 69
    • 85086289718 scopus 로고    scopus 로고
    • note
    • 0 is the permittivity of free space.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.