Related Experiment Video
Updated: Oct 16, 2025

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
Published on: April 8, 2020
Droplet condensation in the lattice gas with density functional theory
1Institut für Angewandte Physik, Eberhard Karls Universität Tübingen, Auf der Morgenstelle 10, D-72076 Tübingen, Germany.
Abstract:
A density functional for the lattice gas with next-neighbor attractions (Ising model) from fundamental measure theory is applied to the problem of droplet states in three-dimensional, finite systems. The density functional is constructed via an auxiliary model with hard lattice gas particles and lattice polymers to incorporate the attractions. Similar to previous simulation studies, the sequence of droplets changing to cylinders and to planar slabs is found upon increasing the average density ρ[over ¯] in the system. Owing to the discreteness of the lattice, additional effects in the state curve for the chemical potential μ(ρ[over ¯]) are seen upon lowering the temperature away from the critical temperature [oscillations in μ(ρ[over ¯]) in the slab portion and spiky undulations in μ(ρ[over ¯]) in the cylinder portion as well as an undulatory behavior of the radius of the surface of tension R_{s} in the droplet region]. This behavior in the cylinder and droplet region is related to washed-out layering transitions at the surface of liquid cylinders and droplets. The analysis of the large-radius behavior of the surface tension γ(R_{s}) gave a dominant contribution ∝1/R_{s}^{2}, although the consistency of γ(R_{s}) with the asymptotic behavior of the radius-dependent Tolman length seems to suggest a weak logarithmic contribution ∝lnR_{s}/R_{s}^{2} in γ(R_{s}). The coefficient of this logarithmic term is smaller than a universal value derived with field-theoretic methods.
Related Concept Videos
Trends in Lattice Energy: Ion Size and Charge
Van der Waals Equation
First, the attractive forces between molecules, which are stronger at higher densities and reduce the pressure, are considered by adding to the pressure a term equal to the square of the molar density multiplied by a positive coefficient a. Second, the volume...
The Born-Haber Cycle
Phase Transitions: Vaporization and Condensation
Real Gases: Effects of Intermolecular Forces and Molecular Volume Deriving Van der Waals Equation
Crystal Field Theory - Octahedral Complexes
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...

