Publikasjoner og ansvarsområder
Choice of reference, influence of non-additivity and present challenges in thermodynamic perturbation theory for mixtures
Equation of state and force fields for Feynman-Hibbs-corrected Mie fluids. II. Application to mixtures of helium, neon, hydrogen and deuterium
We extend the statistical associating fluid theory of quantum corrected Mie potentials (SAFT-VRQ Mie), previously developed for pure fluids [Aasen et al., J. Chem. Phys. 151, 064508 (2019)], to fluid mixtures. In this model, particles interact via Mie potentials with Feynman–Hibbs quantum correction...
Curvature Corrections Remove the Inconsistencies of Binary Classical Nucleation Theory
The study of nucleation in fluid mixtures exposes challenges beyond those of pure systems. A striking example is homogeneous condensation in highly surface-active water-alcohol mixtures, where classical nucleation theory yields an unphysical, negative number of water molecules in the critical embryo...
Tolman lengths and rigidity constants from free-energy functionals – General expressions and comparison of theories
The leading order terms in a curvature expansion of the surface tension, the Tolman length (first order), and rigidities (second order) have been shown to play an important role in the description of nucleation processes. This work presents general and rigorous expressions to compute these quantitie...
Thermodynamic properties of the 3D Lennard-Jones/spline model
Equation of state and force fields for Feynman–Hibbs-corrected Mie fluids. I.Application to pure helium, neon, hydrogen, and deuterium
We present a perturbation theory that combines the use of a third-order Barker–Henderson expansion of the Helmholtz energy with Miepotentials that include first- (Mie-FH1) and second-order (Mie-FH2) Feynman–Hibbs quantum corrections. The resulting equation of state, the statistical associating fluid...