testmaltby

Journal cover and Editors pick

Our recent paper, Perturbation theories for fluids with short-ranged attractive forces: A case study of the Lennard-Jones spline fluid ended up on the cover of the Journal of Chemical Physics, Volume 156, Issue 10. It was also awarded with Editors pick! We are very happy and excited about this!

New paper on thermodynamic perturbation theory for short-ranged fluids

The paper entitled Perturbation theories for fluids with short-ranged attractive forces: A case study of the Lennard-Jones spline fluid has been published in the Journal of Chemical Physics. It is generally not straightforward to apply molecular-thermodynamic theories to fluids with short-ranged attractive forces between their constituent molecules (or particles). This especially applies to perturbation theories, which, for …

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New paper on RED for hydrogen production

The paper entitled Heat to Hydrogen by RED-Reviewing Membranes and Salts for the RED Heat Engine Concept has been published in Membranes. The Reverse electrodialysis heat engine (REDHE) combines a reverse electrodialysis stack for power generation with a thermal regeneration unit to restore the concentration difference of the salt solutions. Current approaches for converting low-temperature waste heat …

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New paper on ensemble invariance in small systems

The paper entitled Small Size Effects in Open and Closed Systems: What Can We Learn from Ideal Gases about Systems with Interacting Particles? has been published in the Journal of Chemical Physics. Small systems have higher surface area-to-volume ratios than macroscopic systems. One consequence of this is that properties of small systems can be dependent on the …

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Ailo Aasen receives the EFCE Excellence award!

The EFCE Excellence award in Thermodynamics and Transport properties is awarded every second year to an excellent PhD thesis. In 2021, it was awarded to my former PhD student and present collaborator, Dr. Ailo Aasen. The judging committee of EFCE’s Thermodynamics and Transport Properties Working Party was highly complementary of the technical quality of Aasen’s work, which …

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New paper on the entropy production in shock waves

The paper entitled Theory and simulation of shock waves: Entropy production and energy conversion has been published in Phys. Rev. E. In the paper, we have investigated shock waves by use of nonequilibrium thermodynamics and nonequilibrium molecular dynamics (NEMD) simulations. We have also considered a shock wave as a surface of discontinuity and computed the entropy production …

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New paper on extracting chemical potential differences in the macroscopic limit from fluctuations in small systems

The paper entitled Chemical Potential Differences in the Macroscopic Limit from Fluctuations in Small Systems has been accepted for publication in the Journal of Chemical Information and Modeling. The paper is the first in the PhD of Vilde Bråten, and written also together with Ass. Prof. S. K. Schnell. The paper presents a new method for computing chemical …

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New paper on the modelling of Rapid Phase Transitions

The paper entitled A combined fluid-dynamic and thermodynamic model to predict the onset of rapid phase transitions in LNG spills has just been accepted for publication in the Journal of Loss Prevention in the Process Industries. Transport of liquefied natural gas (LNG) by ship occurs globally on a massive scale. The large temperature difference between LNG and …

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