Molecular dynamics simulations of the evaporation of hydrated ions from aqueous solution
Graph Chatbot
Chat with Graph Search
Ask any question about EPFL courses, lectures, exercises, research, news, etc. or try the example questions below.
DISCLAIMER: The Graph Chatbot is not programmed to provide explicit or categorical answers to your questions. Rather, it transforms your questions into API requests that are distributed across the various IT services officially administered by EPFL. Its purpose is solely to collect and recommend relevant references to content that you can explore to help you answer your questions.
The practical quantitation limit (PCIL) for arsenic (As) is currently orders of magnitude higher than its nonenforceable, health-based standard in California. Analytical limitations caused by chloride (CO interference can be overcome using high-resolution, ...
We derived an orbital dependent Kohn-Sham based scheme for the correction of the self-interaction error in DFT, which is particularly suited for the study of open shell molecular systems. Our approach is based on a weighted form of the Perdew and Zunger (P ...
Mol. dynamics simulations at 298 K are used to study an aq. dissolved dye (eosin Y) adsorbed at the TiO2(1 1 0) surface to ext. static and dynamic information of solvation. Differences in the phys. behavior of the dye at the surface and in bulk H2O are com ...
Nitrous oxide is the third most important gas contributing to global warming and its concentration in the atmosphere is still on the rise. Nitric acid production represents the largest source of N2O in the chemical industry, with a total annual emission of ...
The stacking of positively charged (or doped) terthiophene oligomers and quaterthiophene polymers in solution is investigated applying a recently developed unified electrostatic and cavitation model for first-principles calculations in a continuum solvent. ...
Monolayer adsorption of benzoic acid derivatives on activated oxide surfaces from solution and from the vapor phase are investigated with the view of modifying the work function of a conductive substrate. Para-substituted benzoic acids with a wide range of ...
The Diels-Alder reaction between cyclopentadiene and methyl acrylate in ionic liquids has been studied in detail. The effect of contamination of the ionic liquids by common impurities, viz. sodium and chloride ions, and water, on the selectivity has been i ...
This thesis presents the different steps in the development of a multiple diagnostic experimental setup and the results concerning the kinetics of condensation and evaporation of water over pure ice, as well as ice films doped with a known amount of atmosp ...
Interaction forces between ionizable surfaces across an electrolyte solution on the Poisson-Boltzmann level are discussed within the constant regulation approximation. The chemical response of each surface is expressed in terms of two parameters, namely, t ...
Important reductions of refrigerant amounts can be achieved by using secondary refrigeration fluids. Ice slurry is a two-phase fluid and thus, compared to single phase secondary refrigeration fluids, offers the advantage of the latent heat of fusion when t ...
