The development of highly accurate and computationally efficient modeling software based
on Gibbs energy minimization (GEM) makes it possible to thermodynamically simulate …

A colleague at the Technical University of Denmark has often stated:“Life is too short for
electrolytes”. Another well-known scientist in the field of molecular simulation has recently …

Handling of the geothermal fluid, which is typically a complex mixture of salt solution and
dissolved gases, is one of the main challenges for designing and operating reliable and …

Brines, ie aqueous salty solutions, increasingly play a role in a better understanding of
physics and chemistry (and eventually also putative biology) of the upper surface of Mars …

Modeling of thermodynamic properties of mixed-solvent electrolyte solutions is challenging.
Reliable experimental data are essential for any model development and parametrization. In …

A significant effort is under way to identify improved solvents for carbon dioxide (CO 2)
capture by chemisorption. We develop a predictive framework that is applicable to aqueous …

Over the past 20–30 years, the development of thermodynamic models for electrolyte
solutions has experienced remarkable progress. While in the first half of the 20th century, the …

Reliable equilibrium solubility data and consistent thermodynamic models for CO 2 in novel
amine solutions are necessary to design and simulate the CO 2 capture process. In this …

Crystallisation fouling is a challenge in numerous applications. To mitigate fouling we need
to determine the basic mechanisms involved in the process. While ex situ techniques have …

The extended UNIQUAC model is a thermodynamic model able to estimate thermodynamic
properties of aqueous electrolyte solutions under a wide range of temperature, pressure …