Now showing items 1-3 of 3

  • Free energy and entropy of a dipolar liquid by computer simulations 

    Palomar, Ricardo; Sesé Castel, Gemma (2018-02-27)
    Article
    Open Access
    Thermodynamic properties for a system composed of dipolar molecules are computed. Free energy is evaluated by means of the thermodynamic integration technique, and it is also estimated by using a perturbation theory approach, ...
  • Microscopic dynamics of supercooled low weight alcohols 

    Palomar, Ricardo; Sesé Castel, Gemma (American Institute of Physics (AIP), 2010-07-28)
    Article
    Restricted access - publisher's policy
    Dynamical properties of low weight alcohols have been analyzed both in the liquid and the supercooled states. Realistic interatomic potential models for methanol and ethanol have been used. The influence of temperature on ...
  • Rotational dynamics of a dipolar supercooled liquid 

    Sesé Castel, Gemma; Ortiz de Urbina Viade, Jordi; Palomar, Ricardo (2012-09-17)
    Article
    Open Access
    We study the rotational dynamics of a supercooled molecular liquid by means of molecular dynamics simulations. The system under investigation is composed of rigid diatomic molecules with an associate dipole moment. At room ...