Showing papers in "Fluid Phase Equilibria in 2017"

TL;DR: In this article, the authors focused on the development of hydrophobic deep eutectic solvents (DESs), as cheap extractants for the removal of four neonicotinoids, Imidacloprid, Acetamiprid, Nitenpyram and Thiamethoxam, from diluted aqueous solutions.

TL;DR: The Peng and Robinson equation of state (PR EoS) has become one of the most useful and successfully applied models for thermodynamic and volumetric calculations in both industrial and academic fields as mentioned in this paper.

TL;DR: In this article, molecular dynamics simulations on three commonly used type III DES, viz, reline, ethaline, and glyceline, which are mixtures of urea, ethylene glycol and glycerol with choline chloride at eutectic composition were performed.

TL;DR: In this paper, a review of a representative number of papers published in recent years that include the correlation of experimental liquid-liquid equilibrium (LLE) data has been carried out, after detecting serious inconsistencies in some of the parameters recently published.

TL;DR: It is shown that the high acidity of the deep eutectic solvents investigated is mainly provided by the organic acid present in the mixture, and that an increase of the alkyl side chain of both the HBA and the HBD species leads to a lower ability of the solvent to donate protons.

TL;DR: In this article, the phase boundaries of TMAOH+H 2 O+CH 4 and TMAHO+H2 O+CO 2 hydrates were measured at different concentrations of aqueous TMAO solution.

TL;DR: In this paper, it is shown that highly concentrated liquid formulations can be produced from pharmaceutical active ingredients which either contain a strong hydrogen bonding functionality e.g. -OH or -COOH or a quaternary ammonium moiety.

TL;DR: In this article, the solid-liquid equilibria of 15 binary mixtures composed of one of three different symmetrical quaternary ammonium chlorides and one of five different fatty acids were measured.

TL;DR: In this article, the monoethanolamine (MEA) was combined with three different quaternary salts to form DES at different molar compositions, and the resulting DESs were characterized by measuring their main physical properties including melting point, density, viscosity, surface tension, and refractive index within the temperature range of 298.15-358.15 K.

TL;DR: In this paper, a pseudo-component approach, with a 2B association scheme, was presented for the first time to estimate the viscosities of deep eutectic solvents.

TL;DR: In this article, the PC-SAFT approach was used for the modeling of CO2 solubilities in various hydrophobic deep eutectic solvents (DESs) for the first time.

TL;DR: In this paper, the solubility curves of choline chloride in ten ionic compounds, forming simple binary eutectic mixtures with quasi-ideal liquid phases, were estimated using the thermophysical fusion properties.

TL;DR: In this paper, the authors quantified the gain of accuracy resulting from the use of a consistent α-function when a cubic equation of state is used to calculate the properties of a pure compound in the supercritical region.

TL;DR: In this article, for the first time, solubility of amiodarone hydrochloride (AMH) in supercritical carbon dioxide (SC-CO 2 ) was determined using a static method at pressures and temperatures ranging within 12-30-MPa and 313.2-343.2 K, respectively.

TL;DR: In this paper, the authors used the gauge-GCMC to generate phase diagrams based on two types of cylindrical models (single pore and multiple pores, including one based on Eagle Ford shale rock).

TL;DR: In this article, a study on the Liquid-liquid Equilibria (LLE) of aqueous two-phase systems composed by DES+K2HPO4+water at 29815 k was performed.

TL;DR: In this paper, the synthesis and physicochemical properties of a new class of Deep Eutectic Solvents (DESs) based on Benzyltripropylammonium chloride as hydrogen bond acceptor (HBA) and different hydrogen bond donors (HBD) like phenol, ethylene glycol, glycerol and lactic acid have been measured.

TL;DR: In this paper, a comprehensive literature survey has revealed that in many cases the use of deep eutectic solvents yields to a minimum cross-contamination between the two phases.

TL;DR: In this paper, the authors measured the solid-liquid equilibrium (SLE) of glucose in three novel low cost deep eutectic solvents (DES) namely tetrabutylammonium bromide [TBAB]-Imidazole, TTEB]-ethylene glycol, and [TTAB]-glycerol over the temperature ranging from 29915-35315 K. The experimental solubility data was correlated with the Apelblat empirical equation along with regression using local composition models.

TL;DR: In this paper, the authors focused on the extraction of anthocyanins from grape pomace via solid/liquid extraction with aqueous solutions of the ionic liquid 1-ethyl-3methylimidzaolium acetate [(C2mim]OAc) and sequential purification in an ATPS with additional salts.

TL;DR: In this paper, the authors performed ab initio molecular dynamics studies of both the pure choline chloride/glycerol DES and the same mixed with SO 2, and observed a decrease in the anion-OH group interplay, because the chloride anions form complexes with the SO 2 molecules.

TL;DR: The prediction quality of COSMO-RS for the thermodynamic properties needed for the design of a liquid-liquid chromatographic process was evaluated for systems containing deep eutectic solvents (DES) as mentioned in this paper.

TL;DR: In this paper, a variety of molecular solutes are dissolved in alkanes and the thermodynamics of transfer into six deep eutectic solvents have been quantified, and it is shown that the transfer of most solutes into the DES is endothermic and driven by entropy.

TL;DR: In this article, a methodology based on the soft-SAFT statistical mechanics-based equation of state is used to propose different molecular models of variable complexity to describe the density, surface tension, viscosity, and CO 2 solubility of several Tetraalkylammonium chloride based DESs.

TL;DR: In this article, the Peng-Robinson-Stryjek-Vera equation of state combined with Wong-Sandler mixing rule and the non-random two-liquid activity coefficient (PRSV+WS+NRTL) model were used to correlate the experimental data.

TL;DR: An Artificial Neural Network model that includes an input layer that uses four independent variables, two hidden layers with 21 neurons each one, and one neuron in the output layer was found to give the best results.

TL;DR: In this article, for the purpose of selecting the effective solvents to separate basic N-compound pyridine from coal tar, three acidic imidazolium-based ILs, 1-butyl-3-methylimidazolate hydrogen sulfate, [Bmim][HSO4], 1- butyl 3methyloridazolaide dihydrogen phosphate, [H2PO4], and 1-Butyl 2methylamidazoline perchlorate perchlorates, [ClO4] were chosen

TL;DR: Isothermal vapor liquid equilibrium (VLE) measurements for difluoromethane (R32) + trans-1,3, 3,3-tetrafluoropropene (R1234ze(E)) binary system were measured using a recirculation analytical apparatus at temperatures from 283.15 to 323.15 K as discussed by the authors.

TL;DR: In this paper, the capability of four Equations of State (EoSs) in modelling the Vapour-Liquid Equilibrium (VLE) and the density of binary mixtures of interest in the field of carbon capture and storage (CCS) is compared.

TL;DR: In this article, the relative volatility of ethanol and water at the azeotropic point was increased from 1.00 to 4.70 with 0 −51.0 mass % ChCl/urea (1:2, mol/mol), with ChCl /urea showing a remarkable entrainer performance in this separation.