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...
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...
The purpose of this study was to evaluate the thermal (glass transition temperature), transport (self-diffusion), and rheological (viscosity, storage and loss modulus) properties of asphalt via laboratory experiments and molecular dynamics simulations. A 12-component...
Chameleon, a generalized Monte Carlo software for the phase space analysis of complex, realistic polymer systems is presented. Chameleon implements the so-called connectivity altering technique applied on polymer chains through Monte Carlo moves that do not mimic...
The properties of higher n-alkanes and their mixtures is a topic of significant interest for the oil and chemical industry. However, the experimental data at high temperatures are scarce. The present study focuses on simulating n-dodecane, n-octacosane, their binary...
Asphalt binder is the main material for road pavement and building construction. It is a complex mixture composed of a large number of hydrocarbons with different molecular weights. The study of asphalt binders and asphalt concretes from a molecular perspective is an...
Fischer–Tropsch synthesis (FTS) is used extensively in the gas-to-liquids (GTL) process to produce clean, high-quality low emission transportation fuels from synthesis gas. In order to gain a better understanding of the phase behavior of the produced wax–water...