A new article has been published in Entropy, entitled: Thermodynamic Properties of Hydrogen Adsorbed on Graphite Surfaces at Temperatures Above 100 K: A Molecular Dynamics and Density Functional Study Improved technological solutions for the transport and storage of hydrogen are crucial for the widespread adoption of hydrogen as a clean energy carrier. Graphite-based materials have …
Johannes Løken will start his PhD in the group in March, 2025. His PhD is funded by the ERC project Interlab, and Johannes will help top develop a theory for the transport properties of vapor-liquid interfaces. Johannes has been in the group for a while, and is now completing his Msc. thesis. We look forward …
Sigrid Aunsmo started her PhD in the group, January 2025. She will embark on challenging topics such as the thermodynamics of electrolyte solutions, chemical reactions and thermodynamics across interfaces. Her PhD is funded by the SafeAm project, where one of the aims is to better understand what happens when liquid ammonia spills end up on …
A new article has been published in the Journal of Physical and Chemical Reference Data, entitled: Equation of State for Solid Argon Valid for Temperatures up to 300K and Pressures up to 16GPa A new equation of state (EoS) is presented for solid argon. The EoS is based on the quasi-harmonic approximation and formulated in terms …
A new article has been published in the Journal of Chemical Physics, entitled: Predicting viscosities and thermal conductivities from dilute gas to dense liquid: Deriving fundamental transfer lengths for momentum and energy exchange in revised Enskog theory. Chapman–Enskog theory has long provided an accurate description of the transport properties of dilute gas mixtures. At elevated …
New article discussing transport properties from kinetic theory from gases to liquids Read More »
A new article has been published in Electrochimica Acta, entitled: Transport numbers of ion-exchange membranes in ternary mixtures of KCl, H2O and ethanol relevant for electrodialysis and desalination processes Understanding the transport phenomena in electrolyte mixtures involved in electrochemical processes is of utmost importance for the modelling and improvement of battery technology, fuel cells, ion-exchange …
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A new article has been published in RCS Advances, entitled: Thermophysical properties of polyethylene glycol via molecular dynamics simulations Polyethylene glycol (PEG) is a versatile chemical with numerous applications in various fields, including biomedical research, pharmaceutical development, and industrial manufacturing. Molecular dynamics (MD) is a powerful tool for investigating the thermophysical properties of PEG molecules. In …
A new article has been published in Fluid Phase Equilibria, entitled: Extrapolating into no man’s land enables accurate estimation of surface properties with multiparameter equations of state Thermodynamic properties of homogeneous fluids in the metastable and unstable regions are needed to describe confined fluids, interfaces, nucleating embryos and estimate critical mass flow rates. The most …
New article about surface properties from multiparameter EoS Read More »
A new article has been published in the Journal of Chemical Physics, entitled: Estimating metastable thermodynamic properties by isochoric extrapolation from stable states The description of metastable fluids, those in local but not global equilibrium, remains an important problem of thermodynamics, and it is crucial for many industrial applications and all first order phase transitions. …
A new article has been published in Fluid phase equilibria, entitled: An activity coefficient model for mixed-solvent electrolyte mixtures based on Gibbs Duhem’s equation: A case study of mixtures of water, KCl and ethanol. Thermodynamic properties of mixtures with several fluid components and electrolytes are challenging to model. Models are needed to develop and improve a …