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

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

Design of liquid crystal solvents for CO2 capture using molecular simulations

Entropy-efficiency in carbon capture using hybrid membrane processes

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

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

Liquid cristals as potential solvents for carbon dioxide capture

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

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

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

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

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

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

Continuous-molecular targeting for integrated solvent and process design

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