Related Experiment Video
Updated: Jul 5, 2026

Methane Hydrate Crystallization on Sessile Water Droplets
Published on: May 26, 2021
Homogeneous nucleation in supersaturated vapors of methane, ethane, and carbon dioxide predicted by brute force
Martin Horsch1, Jadran Vrabec, Martin Bernreuther
1Institute of Thermodynamics and Thermal Process Engineering, Universität Stuttgart, Pfaffenwaldring 9, 70550 Stuttgart, Germany.
Abstract:
Molecular dynamics (MD) simulation is applied to the condensation process of supersaturated vapors of methane, ethane, and carbon dioxide. Simulations of systems with up to a 10(6) particles were conducted with a massively parallel MD program. This leads to reliable statistics and makes nucleation rates down to the order of 10(30) m(-3) s(-1) accessible to the direct simulation approach. Simulation results are compared to the classical nucleation theory (CNT) as well as the modification of Laaksonen, Ford, and Kulmala (LFK) which introduces a size dependence of the specific surface energy. CNT describes the nucleation of ethane and carbon dioxide excellently over the entire studied temperature range, whereas LFK provides a better approach to methane at low temperatures.
More Related Videos
Related Concept Videos
Homogeneous Equilibria for Gaseous Reactions
For gas-phase reactions, the equilibrium constant may be expressed in terms of either the molar concentrations (Kc) or partial pressures (Kp) of the reactants and products. A relation between these two K values may be simply derived from the ideal gas equation and the definition of molarity. According to the ideal gas equation:
Comparing Intermolecular Forces: Melting Point, Boiling Point, and Miscibility
Temporary attractive forces like dispersion are present in all molecules, whether they are polar or nonpolar. They...
¹H NMR of Conformationally Flexible Molecules: Temporal Resolution
Intermolecular Forces and Physical Properties
Conformations of Ethane and Propane
Staggered conformation is a low energy and more stable conformation with the C-H bonds on the front carbon placed at 60°dihedral angles relative to the C-H bonds on the back carbon, leading to a reduced torsional strain. In staggered ethane, the...
VSEPR Theory and the Effect of Lone Pairs

