Publikationen in Zusammenarbeit mit Forschern von Imperial College London (13)

2015

  1. The A in SAFT: Developing the contribution of association to the Helmholtz free energy within a Wertheim TPT1 treatment of generic Mie fluids

    Molecular Physics, Vol. 113, Núm. 9-10, pp. 948-984

2007

  1. Investigation of the salting out of methane from aqueous electrolyte solutions using computer simulations

    Journal of Physical Chemistry B, Vol. 111, Núm. 30, pp. 8993-9000

2006

  1. A potential model for methane in water describing correctly the solubility of the gas and the properties of the methane hydrate

    Journal of Chemical Physics, Vol. 125, Núm. 7

2004

  1. Computer simulation study of the global phase behavior of linear rigid Lennard-Jones chain molecules: Comparison with flexible models

    Journal of Chemical Physics, Vol. 120, Núm. 8, pp. 3957-3968

  2. Molecular modeling of flexible molecules. Vapor-liquid and fluid-solid equilibria

    Journal of Molecular Liquids

2003

  1. Characterization of the order-disorder transition of a charged hard-sphere model

    Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, Vol. 68, Núm. 5 1, pp. 525011-525014

  2. Characterization of the order-disorder transition of a charged hard-sphere model

    Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics, Vol. 68, Núm. 5

  3. Fluid-solid equilibria of flexible and linear rigid tangent chains from Wertheim's thermodynamic perturbation theory

    Journal of Chemical Physics, Vol. 119, Núm. 20, pp. 10958-10971

  4. Study of the solid-liquid-vapour phase equilibria of flexible chain molecules using Wertheim's thermodynamic perturbation theory

    Molecular Physics, Vol. 101, Núm. 3, pp. 449-458

  5. The fluid-solid equilibrium for a charged hard sphere model revisited

    Journal of Chemical Physics, Vol. 119, Núm. 2, pp. 964-971

  6. The phase diagram of the two center Lennard-Jones model as obtained from computer simulation and Wertheim's thermodynamic perturbation theory

    Journal of Chemical Physics, Vol. 118, Núm. 23, pp. 10696-10706

2002

  1. Extending Wertheim's perturbation theory to the solid phase of Lennard-Jones chains: Determination of the global phase diagram

    Journal of Chemical Physics, Vol. 116, Núm. 17, pp. 7645-7655

2000

  1. Order-disorder transition in the solid phase of a charged hard sphere model

    Physical Review Letters, Vol. 85, Núm. 15, pp. 3217-3220