IDEAS home Printed from https://ideas.repec.org/a/eee/phsmap/v346y2005i3p327-338.html
   My bibliography  Save this article

Study of melting of molecular crystals by a modified Pople–Karasz model

Author

Listed:
  • Yazıcı, Mustafa
  • Özgan, Şükrü
  • Keskin, Mustafa

Abstract

A new modified model that combines the modified models of Chandrasekhar et al. with those of Keskin and Özgan, which are based on the Pople–Karasz theory, is applied to study the thermodynamics of melting and solid–solid transitions of molecular crystals. The thermodynamic properties of the disordered system are evaluated relative to those of the perfectly ordered one using the lowest approximation of the cluster-variation method, which is identical to the mean-field approximation. A good agreement is found between the present modified theory and the available experimental data. For melting transitions the agreement is excellent and much better than with the calculations of the Pople–Karasz theory and its previous modified theories. Approximate agreement is obtained for the solid–solid transitions. However, for these transition the experimental agreement with the present modified theory is still better than previous modified theories except at zero and low pressures.

Suggested Citation

  • Yazıcı, Mustafa & Özgan, Şükrü & Keskin, Mustafa, 2005. "Study of melting of molecular crystals by a modified Pople–Karasz model," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 346(3), pages 327-338.
    • Handle: RePEc:eee:phsmap:v:346:y:2005:i:3:p:327-338
    DOI: 10.1016/j.physa.2004.08.078
    as

    Download full text from publisher

    File URL: http://www.sciencedirect.com/science/article/pii/S0378437104011859
    Download Restriction: Full text for ScienceDirect subscribers only. Journal offers the option of making the article available online on Science direct for a fee of $3,000
    File URL: https://libkey.io/10.1016/j.physa.2004.08.078?utm_source=ideas
    LibKey link: if access is restricted and if your library uses this service, LibKey will redirect you to where you can use your library subscription to access this item
    ---><---

    As the access to this document is restricted, you may want to search for a different version of it.

    Corrections

    All material on this site has been provided by the respective publishers and authors. You can help correct errors and omissions. When requesting a correction, please mention this item's handle: RePEc:eee:phsmap:v:346:y:2005:i:3:p:327-338. See general information about how to correct material in RePEc.

    If you have authored this item and are not yet registered with RePEc, we encourage you to do it here. This allows to link your profile to this item. It also allows you to accept potential citations to this item that we are uncertain about.

    We have no bibliographic references for this item. You can help adding them by using this form .

    If you know of missing items citing this one, you can help us creating those links by adding the relevant references in the same way as above, for each refering item. If you are a registered author of this item, you may also want to check the "citations" tab in your RePEc Author Service profile, as there may be some citations waiting for confirmation.

    For technical questions regarding this item, or to correct its authors, title, abstract, bibliographic or download information, contact: Catherine Liu (email available below). General contact details of provider: http://www.journals.elsevier.com/physica-a-statistical-mechpplications/ .

    Please note that corrections may take a couple of weeks to filter through the various RePEc services.

    IDEAS is a RePEc service. RePEc uses bibliographic data supplied by the respective publishers.