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News

Dr. Othon Moultos is featured as an Emerging Investigator in the Journal of Chemical Physics

The work of Dr. Othon Moultos, assistant professor in the Process & Energy department, and his co-workers on deep eutectic solvents was recently published in the JCP Emerging Investigators Special Collection. This collection is highly selective and is meant to recognize the excellent work of early career investigators in the field of Physical Chemistry (within 10 years of PhD graduation). The success was double, since this article was also chosen as an Editor’s Pick (“hand-selected” articles that receive extra advertisement), showcasing the novelty and importance of this work. In early 2022, a subcommittee of the JCP Editorial Advisory Board will also choose two winners from among the papers accepted to the special collection in 2021. Deep eutectic solvents are a class of designer solvents having superior thermophysical properties. For this reason, they are considered lately as a promising green alternative to the conventional volatile organic solvents. To be invited in this special collection of JCP is a great honor for a young academic. It shows that all the hard work and accomplishments do not go unnoticed by the international community. It also shows a strong research momentum in the emerging field of deep eutectic solvents. Despite the widespread acknowledgment that deep eutectic solvents (DESs) have negligible vapor pressures, very few studies in which they are actually measured or computed are available. Similarly, the vapor phase composition is known for only a few DESs. In this study, for the first time, the vapor pressures and vapor phase compositions of choline chloride urea (ChClU) and choline chloride ethylene glycol (ChClEg) DESs are computed using Monte Carlo simulations. Hirad S. Salehi, H. Mert Polat, Frédérick de Meyer, Céline Houriez, Christophe Coquelet, Thijs J. H. Vlugt, and Othonas A. Moultos Read the article

Two recent articles from the Engineering Thermodynamics group (3mE) on the thermodynamic and transport properties of hydrogen are selected as Editor’s choices in the Journal of Chemical and Engineering Data

Effect of Water Content on Thermodynamic Properties of Compressed Hydrogen (more than 7000 articles reads since April 2021) This work shows that at low pressure, the presence of water has a large effect on the thermodynamic properties of compressed hydrogen. The conclusions can have consequences for the energetics of a hydrogen refuelling station with electrochemical hydrogen compressors. By Ahmadreza Rahbari, Julio C. Garcia-Navarro, Mahinder Ramdin, Leo J. P. van den Broeke, Othonas A. Moultos, David Dubbeldam, and Thijs J. H. Vlugt Read the article Engineering Model for Predicting the Intradiffusion Coefficients of Hydrogen and Oxygen in Vapor, Liquid, and Supercritical Water based on Molecular Dynamics Simulations (more than 3000 articles reads since July 2021) In this article, a new engineering model that can predict the hydrogen intradiffusivity in vapor, liquid, and supercritical water is presented, along with many new data for the densities, diffusivities, and shear viscosities of the pure hydrogen and of the hydrogen/water mixtures. The new data and the engineering model presented here can be used for the design and optimization of processes encourntered in electrolyzers and fuel cells. By Ioannis N. Tsimpanogiannis, Samadarshi Maity, Alper T. Celebi, and Othonas A. Moultos Read the article