IDEAS home Printed from
   My bibliography  Save this article

Structure and orientational ordering in a fluid of elongated quadrupolar molecules


  • Singh, Ram Chandra


A second-order density-functional theory is used to study the effect of quadrupolar interactions on the isotropic–nematic transition in a system of fluids of elongated molecules interacting via the Gay–Berne potential. The direct pair-correlation functions of the coexisting isotropic fluid that enter in the theory as input information are obtained by solving the Ornstein–Zernike equation using the Percus–Yevick integral equation theory in the (reduced) temperature range of 1.6≤T∗≤3.0 for different densities, temperatures and quadrupole moments. Using the harmonic coefficients of the direct pair-correlation functions, isotropic–nematic phase coexistence and thermodynamic parameters have been calculated. The theoretical results have been compared with the available computer simulation results.

Suggested Citation

  • Singh, Ram Chandra, 2013. "Structure and orientational ordering in a fluid of elongated quadrupolar molecules," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 392(1), pages 48-57.
  • Handle: RePEc:eee:phsmap:v:392:y:2013:i:1:p:48-57 DOI: 10.1016/j.physa.2012.07.075

    Download full text from publisher

    File URL:
    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

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

    References listed on IDEAS

    1. Flitney, A.P. & Abbott, D., 2003. "Quantum models of Parrondo's games," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 324(1), pages 152-156.
    2. Flitney, A.P. & Ng, J. & Abbott, D., 2002. "Quantum Parrondo's games," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 314(1), pages 35-42.
    3. N. Masuda & N. Konno, 2004. "Subcritical behavior in the alternating supercritical Domany-Kinzel dynamics," The European Physical Journal B: Condensed Matter and Complex Systems, Springer;EDP Sciences, vol. 40(3), pages 313-319, August.
    Full references (including those not matched with items on IDEAS)


    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:392:y:2013:i:1:p:48-57. See general information about how to correct material in RePEc.

    For technical questions regarding this item, or to correct its authors, title, abstract, bibliographic or download information, contact: (Dana Niculescu). General contact details of provider: .

    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 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.

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

    IDEAS is a RePEc service hosted by the Research Division of the Federal Reserve Bank of St. Louis . RePEc uses bibliographic data supplied by the respective publishers.