Skip to main content
SpringerLink
Log in

An improved intermolecular potential function

  • Published:
Il Nuovo Cimento (1955-1965)

Summary

A new intermolecular potential function of the form ϕ(r)=ɛ((n+b)/b) (r m /r)n [n/(n+b) exp [b(1−r/r m ]−1] is presented. Withn=6, this form is simpler and more realistic within the zero of the potential than the extensively used Buckingham (exp − 6) potential. The classical second virial coefficient has been calculated forb=6.0(0.5)9.0 and 0.4≤kT/ɛ≤400. The potential parameters are determined for some rare gases from the experimental second virial coefficient and the separation between nearest neighbors in the crystal lattice at 0 °K.

Riassunto

Viene presentata una nuova funzione potenziale intermolecolare della forma ϕ(r)=ɛ((n+b)/b) (r m /r)n [n/(n+b) exp [b(1−r/r m )]−1]. Conn=6 in prossimità dello zero tale funzione è più semplice e più realistica del potenziale consuetamente usato (exp −6) di Buckingham. È stato calcolato il secondo coefficiente viriale perb=6.0(0.5)9.0 e 0.4≤kT/ɛ≤400. Sono stati inoltre determinati i parametri del potenziale per alcuni gas rari dai valori sperimentali del secondo coefficiente viriale e della distanza fra atomi adiacenti nel reticolo cristallino a 0 °K.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Similar content being viewed by others

References

  1. J. O. Hirschfelder, C. F. Curtiss andR. B. Bird:Molecular Theory of Gases and Liquids (New York, 1954).

  2. F. London:Trans. Faraday Soc.,33, 222 (1930);Zeits. Phys. Chem., B11, 222 (1930).

    Google Scholar 

  3. J. C. Slater:Phys. Rev.,32, 349 (1928).

    Article  ADS  Google Scholar 

  4. R. A. Buckingham andJ. Corner:Proc. Roy. Soc., A189, 118 (1947). See also ref. (1), p. 178.

    Article  ADS  Google Scholar 

  5. W. E. Rice andJ. O. Hirschfelder:Journ. Chem. Phys.,22, 187 (1954).

    Article  ADS  Google Scholar 

  6. Reference (1), p. 150 ff.

  7. H. Margenau andG. M. Murphy:The Mathematics of Physics and Chemistry (New York, 1943), p. 462 ff.Z. Kopal:Numerical Analysis (London, 1955), p. 523.

  8. Reference (1), p. 1035–1042.

  9. T. Kihara andS. Koba:Journ. Phys. Soc. Japan.,7, 348 (1952).

    Article  ADS  Google Scholar 

  10. O. K. Rice:Journ. Am. Chem. Soc.,63, 3 (1941). Reference (1), p. 1041–1042.

    Article  Google Scholar 

  11. J. E. Lennard-Jones andA. E. Ingham:Proc. Roy. Soc. (London), A107, 636 (1925).

    Article  ADS  Google Scholar 

  12. E. A. Mason andW. E. Rice:Journ. Chem. Phys.,22, 843 (1954).

    Article  ADS  Google Scholar 

  13. D. D. Konowalow andJ. O. Hirschfelder:Phys. Fluids,4, 629 (1961).

    Article  MathSciNet  ADS  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Istituto di Chimica Fisica dell’Università, Milano

    S. Carrà

  2. Theoretical Chemistry Institute, University of Wisconsin, Madison, Wis.

    D. D. Konowalow

Authors
  1. S. Carrà
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. D. D. Konowalow
    View author publications

    You can also search for this author in PubMed Google Scholar

Additional information

This work has been done there.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Carrà, S., Konowalow, D.D. An improved intermolecular potential function. Nuovo Cim 34, 205–214 (1964). https://doi.org/10.1007/BF02725880

Download citation

  • Received:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1007/BF02725880

Search

Navigation