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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 |
| Affiliation: | 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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