2019

Tolman lengths and rigidities from full DFT

Our article entitled Tolman lengths and rigidity constants from free-energy functionals—General expressions and comparison of theories has been published in the Journal of Chemical Physics. The leading order terms in a curvature expansion of surface tension, the Tolman length (first order), and rigidities (second order) have been shown to play an important role in the description of …

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Consistent effective one-layer models for spreading of fluids

Our article entitled A consistent reduction of the two-layer shallow-water equations to an accurate one-layer spreading model has been accepted for publication in Physics of Fluids. The gravity-driven spreading of one fluid in contact with another fluid is of key importance to a range of topics. To describe these phenomena, the two-layer shallow-water equations is commonly employed. …

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In our latest article, we discuss thermodynamic stability in pores

Our article entitled Thermodynamic stability of droplets, bubbles and thick films in open and closed pores has been published in Fluid Phase Equilibria. A fluid in a pore can form diverse heterogeneous structures. In our latest work on thermodynamic stability analysis, we combine a capillary description with the cubic-plus-association equation of state to study the thermodynamic stability …

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New paper on Fabricating of Fiber Optic Interferometers

Our article entitled Addressing Challenges in Fabricating Reflection-Based Fiber Optic Interferometers has been published in the journal Sensors. In our work to study phase-transitions by use of fiber optic sensors, we found that their fabrication requires accurate control to obtain reproducible results. In the paper, we evaluate the consequences of practical challenges in fabricating reflection-based, fiber optic …

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New paper on the Lennard-Jones spline potential

Our article entitled Thermodynamic properties of the 3D Lennard-Jones/spline model has been published in the journal Molecular Physics. The Lennard-Jones spline potential is a truncated LJ potential so that both the pair potential and the force continuously approach zero at rc≈1.74 sigma. The advantage is then that the computational time is very short, even though it behaves …

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Pauline Zimmermann will make progress on electrodialysis

Pauline Zimmermann shown on the left, started her PhD this autumn. In her PhD, she will investigate to what extent undesired ions in wastewater from industrial processes can be removed by use of electrodialysis by combining cation and anion exchange membranes. She will do this by combining theory and experimental work. In fact, she has …

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New equation of state and force fields for hydrogen, helium, neon and deuterium

Our article entitled Equation of state and force fields for Feynman–Hibbs-corrected Mie fluids. I. Application to pure helium, neon, hydrogen, and deuterium has just been published in the Journal of Chemical Physics. Liquefaction of hydrogen is a promising method for large-scale transport and distribution of hydrogen across long distances. Mixtures between helium-hydrogen and neon may have the …

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Visitor from the University of Lorraine in France

The 24th of April, we were so fortunate to have visitors from the University of Lorraine in France, Prof. Jean Noël Jaubert and Ass. Prof. Silvia Lasala. In a seminar, they shared with us new insight on their recent research and progress on consistent alpha-correlations for cubic equations of state, classification of binary mixtures with the scheme of …

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New article gives insight about the highway

Our article entitled Minimum entropy generation in a heat exchanger in the cryogenic part of the hydrogen liquefaction process: On the validity of equipartition and disappearance of the highway has just been accepted for publication in the International Journal of Hydrogen Energy. In the paper, we use optimal control theory to minimize the total entropy production of …

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