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惰性气体原子间相互作用势比较研究

孙素蓉 王海兴

惰性气体原子间相互作用势比较研究

孙素蓉, 王海兴
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  • 原子间相互作用势是预测惰性气体输运性质的必要输入条件. 文章对描述惰性气体原子间相互作用的Lennard-Jones势、指数排斥势、Hartree-Fock-Dispersion-B (HFD-B)势和唯象势的形式和特点进行了分析. 基于Chapman-Enskog方法, 计算得到了惰性气体在300–5000 K温度区间内基于四种原子相互作用势的黏性和热导率, 并与文献报道的实验和理论计算结果进行了比较. 研究结果表明, 基于Hartree-Fock排斥理论与色散理论发展起来的HFD-B势能够合理反映惰性气体原子相互作用的趋势与特征, 因而可以较好地预测惰性气体的宏观输运性质.
    • 基金项目: 国家自然基金(批准号: 11275021, 11072020)资助的课题.
    [1]

    Chapman S, Cowling T G 1970 The Mathematical Theory of Non-uniform Gases: An Account of the Kinetic Theory of Viscosity, Thermal Conduction and Diffusion in Gases (Cambridge: Cambridge University Press)

    [2]

    Hirschfelder J O, Curtiss C F, Bird R B 1954 Molecular Theory of Gases and Liquids (New York: John Wiley and Sons, Inc)

    [3]

    Pirani F, Albertı M, Castro A, Teixidor M M, Cappelletti D 2004 Chem. Phys. Lett. 394 37

    [4]

    Maitland G C, Rigby M, Smith E B, Wakeham W A 1981 Intermolecular Forces: Their Origin and Determination (Oxford: Clarendon Press)

    [5]

    Amdur I, Harkness A L 1954 J. Chem. Phys. 22 664

    [6]

    Amdur I, Mason E A 1954 J. Chem. Phys. 22 670

    [7]

    Amdur I, Mason E A 1955 J. Chem. Phys. 23 2268

    [8]

    Amdur I, Mason E A 1955 J. Chem. Phys. 23 415

    [9]

    Amdur I, Mason E A 1956 J. Chem. Phys. 25 624

    [10]

    Jones J E 1924 Proc. Royal Soc. London Series A 106 46

    [11]

    Murphy A B 1995 Plasma Chem. Plasma P 15 279

    [12]

    Aziz R A, Nain V P S, Carley J S, Taylor W L, McConville G T 1979 J. Chem. Phys. 70 4330

    [13]

    Aziz R A, Meath W J, Allnatt A R 1983 Chem. Phys. 78 295

    [14]

    Aziz R A, Slaman M J 1989 Chem. Phys. 130 187

    [15]

    Aziz R A 1976 J. Chem. Phys. 65 490

    [16]

    Aziz R A 1993 J. Chem. Phys. 99 4518

    [17]

    Devoto R S, Li C P 1968 J. Plasma Phys. 2 17

    [18]

    Kannappan D, Bose T K 1980 Phys. Fluids 23 1473

    [19]

    Aubreton J, Elchinger M F, Rat V, Fauchais P 2004 J. Phys. D: Appl. Phys. 37 34

    [20]

    Wang H X, Sun S R, Chen S Q 2012 Acta Phys. Sin. 61 195203 (in Chinese) [王海兴, 孙素蓉, 陈士强 2012 物理学报 61 195203]

    [21]

    Murphy A B 1997 IEEE Trans. Plasma Sci. 25 809

    [22]

    Devoto R S 1969 AIAA J. 7 199

    [23]

    Murphy A B, Tam E 2014 J. Phys. D: Appl. Phys. 47 295202

    [24]

    Bose T K 1988 Prog. Aerosp. Sci. 25 1

    [25]

    Amdur I, Mason E A 1958 Phys. Fluids 1 370

    [26]

    Monchick L 1959 Phys. Fluids 2 695

    [27]

    Liuti G, Pirani F 1985 Chem. Phys. Lett. 122 245

    [28]

    Cambi R, Cappelletti D, Liuti G, Pirani F 1991 J. Chem. Phys. 95 1852

    [29]

    Bruno D, Catalfamo C, Capitelli M, Colonna G, Pascale O De, Diomede P, Gorse C, Laricchiuta A, Longo S, Giordano D, Pirani F 2010 Phys. Plasmas 17 112315

    [30]

    Capitelli M, Cappelletti D, Colonna G, Gorse C, Laricchiuta A, Liuti G, Longo S, Pirani F 2007 Chem. Phys. 338 62

    [31]

    Ahlrichs R, Penco R, Scoles G 1977 Chem. Phys. 19 119

    [32]

    Hepburn J, Scoles G, Penco R A 1975 Chem. Phys. Lett. 36 451

    [33]

    Aziz R A, Chen H H 1977 J. Chem. Phys. 67 5719

    [34]

    Tang K T, Norbeck J M, Certain P R 1976 J. Chem. Phys. 64 3063

    [35]

    Douketis C, Scoles G, Marchetti S, Zen M, Thakkar A J 1982 J. Chem. Phys. 76 3057

    [36]

    Song B, Wang X P, Wu J T, Liu Z G 2011 Acta Phys. Sin. 60 033401 (in Chinese) [宋渤, 王晓坡, 吴江涛, 刘志刚 2011 物理学报 60 033401]

    [37]

    Aziz R A, Janzen A R, Moldover M R 1995 Phys. Rev. Lett. 74 1586

    [38]

    Aziz R A, Slaman M J 1986 Mol. Phys. 58 679

    [39]

    Aziz R A, Slaman M J 1986 Mol. Phys. 57 825

    [40]

    Hirschfelder J O, Taylor M H, Kihara T, Rutherford R 1961 Phys. Fluids 4 663

    [41]

    Miller E J, Sandler S I 1973 Phys. Fluids 16 491

    [42]

    Sandler S I, Mason E A 1969 Phys. Fluids 12 71

    [43]

    Mason E A 1957 J. Chem. Phys. 27 75

    [44]

    Curtiss C F, Hirschfelder J O 1949 J. Chem. Phys. 17 550

    [45]

    Devoto R S 1973 Phys. Fluids 16 616

    [46]

    Devoto R S 1966 Phys. Fluids 9 1230

    [47]

    Ghorui S, Heberlein J V R, Pfender E 2008 Plasma Chem. Plasma P 28 553

    [48]

    Ghorui S, Heberlein J V R, Pfender E 2007 Plasma Chem. Plasma P 27 267

    [49]

    Murphy A B 2000 Plasma Chem. Plasma P 20 279

    [50]

    Dawe R A, Smith E B 1970 J. Chem. Phys. 52 693

    [51]

    Maitland G C, Smith E B 1972 J. Chem. Eng. Data 17 150

    [52]

    Jody B J, Saxena S C, Nain V P S, Aziz R A 1977 Chem. Phys. 22 53

    [53]

    Bich E, Millat J, Vogel E 1990 J. Phys. Chem. Ref. Data 19 1289

    [54]

    Kestin J, Knierim K, Mason E A, Najafi B, Ro S T, Waldman M 1984 J. Phys. Chem. Ref. Data 13 229

    [55]

    Jain P C, Saxena S C 1974 J. Phys. E: Sci. Instrum. 7 1023

    [56]

    Guevara F A, McInteer B B, Wageman W E 1969 Phys. Fluids 12 2493

    [57]

    Murphy A B, Arundell C J 1994 Plasma Chem. Plasma P 14 451

    [58]

    Saxena V K, Saxena S C 1968 Chem. Phys. Lett. 2 44

    [59]

    Chen S H P, Saxena S C 1975 Mol. Phys. 29 455

    [60]

    Nain V P S, Aziz R A, Jain P C, Saxena S C 1976 J. Chem. Phys. 65 3242

    [61]

    Saxena V K, Saxena S C 1969 J. Chem. Phys. 51 3361

    [62]

    Goldblatt M, Wageman W E 1971 Phys. Fluids 14 1024

    [63]

    London F 1930 Quantum 10

    [64]

    London F 1937 Trans. Faraday Soc. 33 8b

  • [1]

    Chapman S, Cowling T G 1970 The Mathematical Theory of Non-uniform Gases: An Account of the Kinetic Theory of Viscosity, Thermal Conduction and Diffusion in Gases (Cambridge: Cambridge University Press)

    [2]

    Hirschfelder J O, Curtiss C F, Bird R B 1954 Molecular Theory of Gases and Liquids (New York: John Wiley and Sons, Inc)

    [3]

    Pirani F, Albertı M, Castro A, Teixidor M M, Cappelletti D 2004 Chem. Phys. Lett. 394 37

    [4]

    Maitland G C, Rigby M, Smith E B, Wakeham W A 1981 Intermolecular Forces: Their Origin and Determination (Oxford: Clarendon Press)

    [5]

    Amdur I, Harkness A L 1954 J. Chem. Phys. 22 664

    [6]

    Amdur I, Mason E A 1954 J. Chem. Phys. 22 670

    [7]

    Amdur I, Mason E A 1955 J. Chem. Phys. 23 2268

    [8]

    Amdur I, Mason E A 1955 J. Chem. Phys. 23 415

    [9]

    Amdur I, Mason E A 1956 J. Chem. Phys. 25 624

    [10]

    Jones J E 1924 Proc. Royal Soc. London Series A 106 46

    [11]

    Murphy A B 1995 Plasma Chem. Plasma P 15 279

    [12]

    Aziz R A, Nain V P S, Carley J S, Taylor W L, McConville G T 1979 J. Chem. Phys. 70 4330

    [13]

    Aziz R A, Meath W J, Allnatt A R 1983 Chem. Phys. 78 295

    [14]

    Aziz R A, Slaman M J 1989 Chem. Phys. 130 187

    [15]

    Aziz R A 1976 J. Chem. Phys. 65 490

    [16]

    Aziz R A 1993 J. Chem. Phys. 99 4518

    [17]

    Devoto R S, Li C P 1968 J. Plasma Phys. 2 17

    [18]

    Kannappan D, Bose T K 1980 Phys. Fluids 23 1473

    [19]

    Aubreton J, Elchinger M F, Rat V, Fauchais P 2004 J. Phys. D: Appl. Phys. 37 34

    [20]

    Wang H X, Sun S R, Chen S Q 2012 Acta Phys. Sin. 61 195203 (in Chinese) [王海兴, 孙素蓉, 陈士强 2012 物理学报 61 195203]

    [21]

    Murphy A B 1997 IEEE Trans. Plasma Sci. 25 809

    [22]

    Devoto R S 1969 AIAA J. 7 199

    [23]

    Murphy A B, Tam E 2014 J. Phys. D: Appl. Phys. 47 295202

    [24]

    Bose T K 1988 Prog. Aerosp. Sci. 25 1

    [25]

    Amdur I, Mason E A 1958 Phys. Fluids 1 370

    [26]

    Monchick L 1959 Phys. Fluids 2 695

    [27]

    Liuti G, Pirani F 1985 Chem. Phys. Lett. 122 245

    [28]

    Cambi R, Cappelletti D, Liuti G, Pirani F 1991 J. Chem. Phys. 95 1852

    [29]

    Bruno D, Catalfamo C, Capitelli M, Colonna G, Pascale O De, Diomede P, Gorse C, Laricchiuta A, Longo S, Giordano D, Pirani F 2010 Phys. Plasmas 17 112315

    [30]

    Capitelli M, Cappelletti D, Colonna G, Gorse C, Laricchiuta A, Liuti G, Longo S, Pirani F 2007 Chem. Phys. 338 62

    [31]

    Ahlrichs R, Penco R, Scoles G 1977 Chem. Phys. 19 119

    [32]

    Hepburn J, Scoles G, Penco R A 1975 Chem. Phys. Lett. 36 451

    [33]

    Aziz R A, Chen H H 1977 J. Chem. Phys. 67 5719

    [34]

    Tang K T, Norbeck J M, Certain P R 1976 J. Chem. Phys. 64 3063

    [35]

    Douketis C, Scoles G, Marchetti S, Zen M, Thakkar A J 1982 J. Chem. Phys. 76 3057

    [36]

    Song B, Wang X P, Wu J T, Liu Z G 2011 Acta Phys. Sin. 60 033401 (in Chinese) [宋渤, 王晓坡, 吴江涛, 刘志刚 2011 物理学报 60 033401]

    [37]

    Aziz R A, Janzen A R, Moldover M R 1995 Phys. Rev. Lett. 74 1586

    [38]

    Aziz R A, Slaman M J 1986 Mol. Phys. 58 679

    [39]

    Aziz R A, Slaman M J 1986 Mol. Phys. 57 825

    [40]

    Hirschfelder J O, Taylor M H, Kihara T, Rutherford R 1961 Phys. Fluids 4 663

    [41]

    Miller E J, Sandler S I 1973 Phys. Fluids 16 491

    [42]

    Sandler S I, Mason E A 1969 Phys. Fluids 12 71

    [43]

    Mason E A 1957 J. Chem. Phys. 27 75

    [44]

    Curtiss C F, Hirschfelder J O 1949 J. Chem. Phys. 17 550

    [45]

    Devoto R S 1973 Phys. Fluids 16 616

    [46]

    Devoto R S 1966 Phys. Fluids 9 1230

    [47]

    Ghorui S, Heberlein J V R, Pfender E 2008 Plasma Chem. Plasma P 28 553

    [48]

    Ghorui S, Heberlein J V R, Pfender E 2007 Plasma Chem. Plasma P 27 267

    [49]

    Murphy A B 2000 Plasma Chem. Plasma P 20 279

    [50]

    Dawe R A, Smith E B 1970 J. Chem. Phys. 52 693

    [51]

    Maitland G C, Smith E B 1972 J. Chem. Eng. Data 17 150

    [52]

    Jody B J, Saxena S C, Nain V P S, Aziz R A 1977 Chem. Phys. 22 53

    [53]

    Bich E, Millat J, Vogel E 1990 J. Phys. Chem. Ref. Data 19 1289

    [54]

    Kestin J, Knierim K, Mason E A, Najafi B, Ro S T, Waldman M 1984 J. Phys. Chem. Ref. Data 13 229

    [55]

    Jain P C, Saxena S C 1974 J. Phys. E: Sci. Instrum. 7 1023

    [56]

    Guevara F A, McInteer B B, Wageman W E 1969 Phys. Fluids 12 2493

    [57]

    Murphy A B, Arundell C J 1994 Plasma Chem. Plasma P 14 451

    [58]

    Saxena V K, Saxena S C 1968 Chem. Phys. Lett. 2 44

    [59]

    Chen S H P, Saxena S C 1975 Mol. Phys. 29 455

    [60]

    Nain V P S, Aziz R A, Jain P C, Saxena S C 1976 J. Chem. Phys. 65 3242

    [61]

    Saxena V K, Saxena S C 1969 J. Chem. Phys. 51 3361

    [62]

    Goldblatt M, Wageman W E 1971 Phys. Fluids 14 1024

    [63]

    London F 1930 Quantum 10

    [64]

    London F 1937 Trans. Faraday Soc. 33 8b

  • 引用本文:
    Citation:
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  • 文章访问数:  1256
  • PDF下载量:  196
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出版历程
  • 收稿日期:  2014-10-16
  • 修回日期:  2015-03-20
  • 刊出日期:  2015-07-05

惰性气体原子间相互作用势比较研究

  • 1. 北京航空航天大学宇航学院, 北京 100191
    基金项目: 

    国家自然基金(批准号: 11275021, 11072020)资助的课题.

摘要: 原子间相互作用势是预测惰性气体输运性质的必要输入条件. 文章对描述惰性气体原子间相互作用的Lennard-Jones势、指数排斥势、Hartree-Fock-Dispersion-B (HFD-B)势和唯象势的形式和特点进行了分析. 基于Chapman-Enskog方法, 计算得到了惰性气体在300–5000 K温度区间内基于四种原子相互作用势的黏性和热导率, 并与文献报道的实验和理论计算结果进行了比较. 研究结果表明, 基于Hartree-Fock排斥理论与色散理论发展起来的HFD-B势能够合理反映惰性气体原子相互作用的趋势与特征, 因而可以较好地预测惰性气体的宏观输运性质.

English Abstract

参考文献 (64)

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