Software
Contact person, software
Publications
- Mie–FH: A quantum corrected pair potential in the LAMMPS simulation package for hydrogen mixtures Read publication
- Extrapolating into no man's land enables accurate estimation of surface properties with multiparameter equations of state
- Estimating metastable thermodynamic properties by isochoric extrapolation from stable states Read publication
- Bulk and interfacial thermodynamics of ammonia, water and their mixtures
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A flashing flow model for the rapid depressurization of CO
2 in a pipe accounting for bubble nucleation and growth Read publication -
Depressurization of CO
2 in a pipe: Effect of initial state on non-equilibrium two-phase flow Read publication - Free energy of critical droplets - From the binodal to the spinodal
- Classical density functional theory for interfacial properties of hydrogen, helium, deuterium, neon and their mixtures Read publication
- Towards an engineering tool for the prediction of running ductile fractures in CO2 pipelines
- Experiments and modelling of choked flow of CO2 in orifices and nozzles Read publication
Other
- The quasi-harmonic approximation: Solid equation of state for the prediction of thermodynamic properties and solid formation in fluid mixtures
- Equation of state for solid argon for prediction of hydrogen-argon mixtures.
- Depressurization of dense phase CO2 in pipes at different initial temperatures: Non-equilibrium effects
- Running ductile fracture - Towards an engineering model for RDF prediction in CO2 pipelines
- Equation of State for Confined Nanosystems
- Towards modelling the evaporation of CO2 during depressurization using physics-based mass-transfer terms
- Equation of State for Nanosystems
- SAFT for quantum fluid mixtures and the hydrogen society: Present state of the art and fundamental challenges
- Simple Quantum Corrections Improve the Accuracy of Cubic Equations of State for Mixtures That Contain Hydrogen, Helium, Neon and Deuterium
- Analysis of pressure and temperature dynamics during depressurization of a pipe filled with a CO2-HE or CO2-N2 mixture
