Continuous molecular targeting¿computer-aided molecular design (CoMT¿CAMD) for simultaneous process and solvent design for CO2 capture

An analytical approximation for the orientation-dependent excluded volume of tangent hard sphere chains of arbitrary chain lenght and flexibility

Design of liquid crystal solvents for CO2 capture using molecular simulations

Integration of process and solvent design towards a novel generation of CO2 absorption capture systems

Determining force field parameters using a physically bases equation of state

Using liquid crystals for CO2 absorption: the development of a physically based equation of state

Entropy-efficiency in carbon capture using hybrid membrane processes

Using an analytic equation of state to obtain quantitative solubilities of CO2 by molecular simulation

Phase behaviour of the system linear polyglycerol + methanol + carbon dioxide

Using a physically based equation of state for fitting force field parameters

Phase behaviour of the system hyperbranched polyglycero + methanol + carbon dioxide

How to find the right needle in the carbon-capture haystack: simultaneous design of materials and processes

Adsorption and diffusion of water, methanol and ethanol in all-silica DD3R: Experiments and simulations

Comparison of the phase behaviour of linear and hyperbranched polyglycerols in mixtures with methanol and carbon dioxide

Two performance indicators for the characterization of the entropy production in a process unit

Renormalization-group corrections to the perturbed-chain statistical associating fluid theory for binary mixtures

Continuous-molecular targeting for integrated solvent and process design

Density functional theory for calculating surface tensions with a simple renormalization formalism for the critical point

Application of infinite dilution activity coefficients for determining binary equation of state paremeters

Modeling the phase equilibria of hydrogen sulfide and carbon dioxide in mixture with hydrocarbons and water using the PCP-SAFT equatation of state