- Application of thermodynamics at different scales to describe the behaviour of fast reacting binary mixtures in vapour-liquid equilibrium
- Accurate Free Energies of Aqueous Electrolyte Solutions from Molecular Simulations with Non-polarizable Force Fields
- Ultrasound enhanced diffusion in hydrogels: An experimental and non-equilibrium molecular dynamics study
- Generic low-density corrections to the equation of state of chain molecules with repulsive intermolecular forces
- Microscopic insights into poly- and mono-crystalline methane hydrate dissociation in Na-montmorillonite pores at static and dynamic fluid conditions
- Calculating Thermodynamic Factors for Diffusion Using the Continuous Fractional Component Monte Carlo Method
- Mutual Diffusivities of Mixtures of Carbon Dioxide and Hydrogen and Their Solubilities in Brine: Insight from Molecular Simulations
- Interfacial Tensions, Solubilities, and Transport Properties of the H2/H2O/NaCl System: A Molecular Simulation Study
- Transport properties of mixtures of acid gases with aqueous monoethanolamine solutions: A molecular dynamics study
- Transient modelling of a multi-cell alkaline electrolyzer for gas crossover and safe system operation
- Solubilities of CO2, CH4, C2H6, CO, H2, N2, N2O, and H2S in commercial physical solvents from Monte Carlo simulations
- Densities, viscosities, and diffusivities of loaded and unloaded aqueous CO2/H2S/MDEA mixtures: A molecular dynamics simulation study
- Computation of Electrical Conductivities of Aqueous Electrolyte Solutions: Two Surfaces, One Property