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Direct calculation of interfacial properties of fluids close to the critical region by a molecular-based equation of state |
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| Authors: | Oriol Vilaseca Lourdes F Vega |
| Institution: | a MATGAS Research Center (Carburos Metálicos-Air Products, CSIC, UAB), Campus de la UAB, 08193 Bellaterra, Barcelona, Spain b Institut de Ciència de Materials de Barcelona, Consejo Superior de Investigaciones Científicas (ICMAB-CSIC), Campus de la UAB, 08193 Bellaterra, Barcelona, Spain |
| Abstract: | |
| Keywords: | CPA Cubic Plus Association DFT density functional theory DGT Density Gradient Theory EoS(s) equation(s) of state IT interfacial tension LJ Lennard-Jones MD molecular dynamics PR Peng-Robinson RG renormalization group SAFT Statistical Associating Fluid Theory TPT Thermodynamic Perturbation Theory |
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