Thesis Collection
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Browsing by Author "Gloor, Guy J."
Now showing items 1-2 of 2
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An accurate density functional theory for the vapor-liquid interface of associating chain molecules based on the statistical associating fluid theory for potentials of variable range
Gloor, Guy J.; Jackson, George; Jiménez Blas, Felipe
; Martín del Rio, Elvira Fátima; Miguel Agustino, Enrique de (American Institute of Physics, 2004)
A Helmholtz free energydensity functional is developed to describe the vapor-liquid interface of associating chain molecules. The functional is based on the statistical associating fluid theory with attractive potentials ... -
Test-area simulation method for the direct determination of the interfacial tension of systems with continuous or discontinuous potentials
Gloor, Guy J.; George, Jackson; Jiménez Blas, Felipe; Miguel Agustino, Enrique de (American Institute of Physics, 2005)
A novel test-area TA technique for the direct simulation of the interfacial tension of systems interacting through arbitrary intermolecular potentials is presented in this paper. The most commonly used method invokes ...
