The thermophysical properties (decomposition temperature, glass transition temperature, density, and viscosity) of imidazolium-based ionic liquids (ILs) paired with the tricyanomethanide ([TCM]−) anion and the bis(trifluoromethylsulfonyl)imide ([Tf2N]−) anion were...
Influence of the Precursor Composition and Reaction Conditions on Raney-Nickel Catalytic System
Raney-Nickel is routinely used in the process of selective hydrogenation of benzene and its derivatives. In order to gain a better understanding of this catalytic reaction, we have implemented both atomistic and thermodynamic modeling methods. While modeling at the...
Thermophysical Properties of Imidazolium Tricyanomethanide Ionic Liquids: Experiments and Molecular Simulation
The low-viscous tricyanomethanide ([TCM]−)-based ionic liquids (ILs) are gaining increasing interest as attractive fluids for a variety of industrial applications. The thermophysical properties (density, viscosity, surface tension, electrical conductivity and...
Molecular Simulations of Imidazolium-based Tricyanomethanide Ionic Liquids Using an Optimized Classical Force-field
Imidazolium-based ionic liquids (ILs) incorporating the tricyanomethanide ([TCM−]) anion are studied using an optimized classical force field. These ILs are very promising candidates for use in a wide range of cutting-edge technologies and, to our knowledge, it is the...
Effect of Oxygenation on Carbon Dioxide Absorption and Thermophysical Properties of Ionic Liquids: Experiments and Modeling Using Electrolyte PC-SAFT
The thermophysical properties (decomposition temperature, glass transition temperature, density, and viscosity) of imidazolium-based ionic liquids (ILs) paired with the tricyanomethanide ([TCM]−) anion and the bis(trifluoromethylsulfonyl)imide ([Tf2N]−) anion were...
Carbon Dioxide Solubilities and Diffusivities in 1-Alkyl-3-methylimidazolium Tricyanomethanide Ionic Liquids: An Experimental and Modeling Study
The solubility and diffusivity of CO2 in a series of 1-alkyl-3methylimidazolium tricyanomethanide ionic liquids ([Cnmim][TCM] with n = 2, 4, 6, 7, 8; ILs) was studied using a magnetic suspension balance at temperatures ranging from 298 to 353 K and pressures up to 2...