We are dedicated to research in applied thermodynamics and physical properties to develop reliable property estimation methods.
Thermodynamic models not only provide information about the distribution of chemicals at equilibrium, but may also be used to determine other physical properties, such as surface tension, electrical and thermal conductivity, dielectric constants and densities. We are developing accurate models for predicting the these properties in multicomponent mixtures.
What is missing from our current models for electrolyte solutions? Most thermodynamic models are correlative rather than predictive and fail when applied to e.g. other solvents than water or liquid-liquid extraction processes. We are looking into improving the models for electrostatics by accounting for ion hydration, complex formation and ion pairing.
Reliable Flash Algorithms
The reliability of results from complex thermodynamic models not only depend on the validity of the model itself, but also the robustness of the numerical algorithms employed to solve the equations of equilibrium and the stability analysis scheme employed to identify the phases present at equilibrium. Hafnium Labs is developing new robust flash algorithms for combined chemical and physical equilibrium.
Advanced Association Models
Hydrogen bonds are responsible for a wide range of fascinating behaviour of many polar fluids, especially water. Succesful engineering equations of state such as SAFT and CPA have been developed based on accounting for this concept through the Wertheim TPT1 theory. The models from Hafnium Labs go beyond the simplifying assumptions and account for e.g. rings, dimers, steric hindrance and bond cooperativity.