CALCULATION OF PHASE EQUILIBRIUM OF SYSTEM VAPOR–LIQUID IN TERNARY MIXTURES ISOAMYLOL–ETHANOL–WATER AND ISOBUTANOL–ETHANOL–WATER AT HIGH CONCENTRATIONS OF HIGHER ALCOHOLS

Проведено сравнение экспериментальных и расчетных данных при описании фазового равновесия по методам группового вклада UNIQUAC и NRTL для трехкомпонентных смесей изоамилол–этанол–вода и изобутанол–этанол–вода системы пар–жидкость при атмосферном давлении и высоких концентрациях высших спиртов (10–20% мас.). При расчете упругости паров чистых компонентов использовано уравнение Антуана. Приведены константы Антуана и парные энергетические параметры бинарного взаимодействия исследованных компонентов методов UNIQUAC и NRTL. Оба метода хорошо описывают равновесие в этих системах. The experimental and calculated data are compared in the description of phase equilibrium by the methods of the group contribution of UNIQUAC and NRTL for three-component isoamylol-ethanol-water and isobutanol-ethanol-water mixtures of the vapor-liquid system at atmospheric pressure and high concentrations of higher alcohols (10-20% by weight). The Antoine equation was used for calculation of the elasticity of vapors of pure components. The Antoine constants and the pairwise energy parameters of the binary interaction of the investigated components of the UNIQUAC and NRTL methods are given. Both methods well describe balance in these systems.

Phase Behaviour and Physical Properties of Dimethyl Ether DME/CO2/Water/Heavy Oil Systems under Reservoir Conditions

In this paper, techniques have been developed to quantify phase behaviour and physical properties including phase boundaries, swelling factors, and phase volumes for reservoir fluids containing polar components from both experimental and theoretical aspects. Experimentally, a total of five pressure-volume-temperature (PVT) experiments including three sets of DME/CO2/heavy oil systems and two sets of DME/CO2/water/heavy oil systems have been carried out to measure saturation pressures, phase volumes, and swelling factors by using a versatile PVT setup. Theoretically, the modified Peng-Robinson equation of state (PR EOS) incorporated with the Huron-Vidal mixing rule and the Péneloux volume-translation strategy is employed as the thermodynamic model to perform phase equilibrium calculations. It is observed that the experimentally measured saturation pressures of DME/CO2/water/heavy oil mixtures are higher than those of DME/CO2/heavy oil mixtures at the same temperature and same molar ratio of solvents and heavy oil, owing to the fact that more water molecules can be evaporated into vapour phase. The binary interaction parameters (BIPs) between DME/heavy oil and CO2/DME pair, which are obtained by matching the measured saturation pressures of DME/CO2/heavy oil mixtures, work well for DME/CO2/heavy oil mixtures in the presence and absence of water. In addition, a swelling effect of heavy oil can be enhanced by adding the DME and CO2 mixtures compared to only DME or CO2. The new model developed in this work is capable of accurately reproducing the experimentally measured multiphase boundaries, swelling factors, phase volumes with a root-mean-squared relative error (RMSRE) of 4.68%, 0.71%, and 9.35%, respectively, indicating that it can provide fundamental data for simulating, designing, and optimizing the hybrid solvent-thermal recovery processes for heavy oil reservoirs.

A quantitative mapping approach to identify direct interactions within complexomes

ABSTRACTComplementary methods are required to fully characterize all protein complexes, or the complexome, of a cell. Affinity purification coupled to mass-spectrometry (AP-MS) can identify the composition of complexes at proteome-scale. However, information on direct contacts between subunits is often lacking. In contrast, solving the 3D structure of protein complexes can provide this information, but structural biology techniques are not yet scalable for systematic, proteome-wide efforts. Here, we optimally combine two orthogonal high-throughput binary interaction assays, LuTHy and N2H, and demonstrate that their quantitative readouts can be used to differentiate direct interactions from indirect associations within multiprotein complexes. We also show that LuTHy allows accurate distance measurements between proteins in live cells and apply these findings to study the impact of the polyglutamine expansion mutation on the structurally unresolved N-terminal domain of Huntingtin. Thus, we present a new framework based on quantitative interaction assays to complement structural biology and AP-MS techniques, which should help to provide first-approximation contact maps of multiprotein complexes at proteome-scale.Graphical Abstract

Application of Multivariate Optimization for Phenolic Compounds and Antioxidants Extraction from Moroccan Cannabis sativa Waste

A statistical simplex centroid design methodology was applied to determine the effects of different solvents and their mixtures on the yield, total polyphenol content, 2′2-dipheny-l-picrylhydrazyl (DPPH) radical scavenging activity, and ferric reducing antioxidant power (FRAP) of extracts from the waste of Cannabis sativa. The different extractor solvents (ethanol, methanol, water, and hexane) and their binary and ternary combinations were evaluated. The experimental results and their response surface models showed that the highest TPC yield values occur with the binary interaction between water and ethanol around the proportion of (ethanol, 70%; water, 30%). The desirability function showed that the optimal conditions were for TPC extraction ternary mixtures which consisted of 75% ethanol, 12.5% methanol, and 12.5% water. Ternary mixtures including water and binary mixture (ethanol 50% to 75%) yielded extracts with the best DPPH antioxidant activity, whereas pure methanol was the best solvent for extracting molecules with FRAP antioxidant capacity. The desirability function including all responses showed that the optimal solvent mixture consisted of 25% ethanol and 75% methanol.

Vapor−Liquid Equilibrium For The Mixture of m-Xylene, Ethylbenzene and 1, 2, 4-Trichlorobenzene at 101.3 kPa

The vapor-liquid phase equilibrium (VLE) data for binary systems of m-xylene + ethylbenzene, m-xylene + 1, 2, 4-trichlorobenzene, ethylbenzene + 1, 2, 4-trichlorobenzene and ternary system of m-xylene + ethylbenzene + 1, 2, 4-trichlorobenzene were determined with a modified Rose still at 101.3 kPa, and all the binary data passed the Wisniak’s test, which accorded with the thermodynamic consistency. Three activity coefficient models namely, Wilson, NRTL and UNIQUAC were used to correlate VLE data and get binary interaction parameters, then the ternary VLE data of m-xylene + ethylbenzene + 1, 2, 4-trichlorobenzene were estimated based on these model parameters using Aspen Plus software. The estimation values of the three models agree well with the experimental data. Moreover, the effect of 1, 2, 4-trichlorobenzene was analyzed, and it found to be an effective candidate extractant for the extractive distillation of ethylbenzene from mixed xylenes.

Solid-Fluid Phase Equilibria Measurement for Mixtures of Methane, Carbon-Dioxide and N-Hexadecane

In this study, new experimental data using a reliable approach are reported for solid-fluid phase equilibrium of ternary mixtures of Methane-Carbon-dioxide- n-Hexadecane for 30-73 mol% CO2 and pressures up to 24 MPa. The effect of varying CO2 composition on the overall phase transition of the systems were investigated. Three thermodynamic models were used to predict the liquid phase fugacity, this includes the Peng Robison equation of state (PR-EoS), Soave Redlich-Kwong equation of state (SRK-EoS) and the Cubic plus Association (CPA) equation of state with the classical mixing rule and a group contribution approach for calculating binary interaction parameters in all cases. To describe the wax (solid) phase, three activity coefficient models based on the solid solution theory were investigated: the predictive universal quasichemical activity coefficients (UNIQUAC), Universal quasi-chemical Functional Group activity coefficients (UNIFAC) and the predictive Wilson approach. The solid-fluid equilibria experimental data gathered in this experimental work including those from saturated and under-saturated conditions were used to check the reliability of the various phase equilibria thermodynamic models.