Application of thermodynamics at different scales to describe the behaviour of fast reacting binary mixtures in vapour-liquid equilibrium

Scaling towards the critical point in the combined reaction/Gibbs ensemble

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

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

Interfacial Tensions, Solubilities, and Transport Properties of the H₂/H₂O/NaCl System: A Molecular Simulation Study

Water diffusion mechanisms in bitumen studied through molecular dynamics simulations

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

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

Thermodynamic and Transport Properties of H₂/H₂O/NaB(OH)₄ Mixtures Using the Delft Force Field (DFF/B(OH)₄^-)

The dilatable membrane of oleosomes (lipid droplets) allows their in vitro resizing and triggered release of lipids

Solving Chemical Absorption Equilibria using Free Energy and Quantum Chemistry Calculations: Methodology, Limitations, and New Open-Source Software

Effects of nanobubbles on methane hydrate dissociation: A molecular simulation study

Solubility of CO₂in Aqueous Formic Acid Solutions and the Effect of NaCl Addition: A Molecular Simulation Study

Solubilities and Transport Properties of CO₂, Oxalic Acid, and Formic Acid in Mixed Solvents Composed of Deep Eutectic Solvents, Methanol, and Propylene Carbonate

Electrochemical Reduction of CO₂to Oxalic Acid: Experiments, Process Modeling, and Economics

Electro-osmotic Drag and Thermodynamic Properties of Water in Hydrated Nafion Membranes from Molecular Dynamics