Ternary Mixtures Of Water Research Articles

Liquid-Liquid equilibrium Behavior and intermolecular interactions of Levulinic acid and water with isopropyl ether and methyl Tert-Butyl ether

Levulinic acid (LA) is a crucial bio-based chemical with extensive industrial applications. Due to its significant share in the cost of production, the development of efficient techniques for the separation of LA is essential. Traditional separation using sulphuric acid raises environmental and cost concerns, making liquid–liquid extraction a more sustainable and cost-effective alternative. liquid–liquid equilibrium (LLE) investigation was carried out for two ternary mixtures of water + LA + isopropyl ether / methyl tert-butyl ether (MTBE) at two temperatures and 101.3 kPa. The results indicated that the solvent MTBE, as an extractant, showed a higher partition coefficient and selectivity for LA than isopropyl ether, demonstrating its superior effectiveness in recovering LA. The interaction insights between LA and the extractants were explored using quantum chemistry calculations, which aligned well with the collected results. The ascertained LLE data was modeled using the NRTL equation, achieving the RMSD values below 0.01, demonstrating a good concordance between the collected data and computed values. The fitted NRTL model parameters are conducive to the designing and optimizing the LA separation process.

Modeling Study on the Density and Viscosity of Ionic Liquid–Organic Solvent–Water Ternary Mixtures

Modeling Study on the Density and Viscosity of Ionic Liquid–Organic Solvent–Water Ternary Mixtures

Augmenting the Efficacy of a Polyvinyl Alcohol Selective Layer Coated on Polyvinylidene Fluoride Support Membranes with Kaolinite Introduction for Improved Pervaporation Dehydration of Epichlorohydrin/Isopropanol/Water Ternary Systems.

Composite membranes with a polyvinyl alcohol (PVA) selective layer composed of well-dispersed hydrophilic kaolinite particles coated on a polyvinylidene fluoride (PVDF) support were developed. They were applied to the pervaporation dehydration of the industrially important epichlorohydrin (ECH)/isopropanol (IPA)/water ternary mixture. In comparison with raw kaolinite (RK), hydrophilic kaolinite (HK) enhanced the mechanical properties, hydrophilicity, and thermal stability of the PVA selective layer, as confirmed by universal testing, the contact angle, and TGA analyses, respectively. The pervaporation results revealed that the addition of HK particles significantly enhanced the separation factor (3-fold). Only a marginal reduction in flux was observed with ECH/IPA/water, 50/30/20 (w/w %) at 40 °C. An HK particle concentration of 4 wt.% with respect to PVA delivered the highest flux performance of 0.86 kg/m2h and achieved a separation factor of 116. The PVA-kaolinite composite membrane exhibited pronounced resistance to the ECH-containing feed, demonstrating a sustained flux and separation factor throughout an extended pervaporation stability test lasting 250 h.

Study on the separation of methyl-ethyl-ketone / isopropanol / water ternary mixture by energy-efficient extractive distillation processes

The separation of ternary mixtures of methyl-ethyl-ketone (MEK)/isopropanol (IPA)/water, which are produced through chemical processes, is an imperative task aimed at reducing energy expenditures and mitigating environmental contamination. In the industry, Ethylene glycol (EG) and dimethyl sulfoxide (DMSO) are commonly employed as extractants. The selection of EG as the extractant was based on an investigation into the impact of relative volatility. Three distinct processes, namely conventional extractive distillation (CED), side-stream extractive distillation (SED), and heat pump extractive distillation (HPED), were evaluated by total annual cost (TAC), total energy consumption (TEC) and carbon dioxide emissions (CO2 emissions). The results demonstrate that both the enhanced SED and HPED processes effectively decrease energy consumption. Specifically, the TEC for the SED process exhibits a reduction of 15.36% compared to the CED process, resulting in a TAC saving of 9.06% and a decrease in CO2 emissions by 12.37%. Similarly, the HPED process surpasses the CED process by achieving a TAC saving of 15.41% and a CO2 emissions reduction of 22.61%. Consequently, this research presents a novel approach for the separation of MEK/IPA/water, offering significant practical implications.

Liquid–Liquid Equilibrium Data of Ternary Mixture of Polymer, Sodium Thiosulfate, and Water: Effect of Type and Molar Mass of Macromolecule

Liquid–Liquid Equilibrium Data of Ternary Mixture of Polymer, Sodium Thiosulfate, and Water: Effect of Type and Molar Mass of Macromolecule

Sustainable cascade reaction combining transition metal-biocatalysis and hydrophobic substrates in surfactant-free aqueous solutions

A cascade reaction consisting of a Heck reaction followed by an enzyme-catalyzed reaction is carried out in different aqueous solutions. In particular, the impact of the structuring of the reaction solvent is investigated. For this purpose, several ternary mixtures of water, isopropanol, and benzyl alcohol, including surfactant-free microemulsions, as well as binary mixtures of water and isopropanol, are taken into account. A micellar solution of the surfactant TPGS-750-M serves as a reference system. The coupling of the two reactions can be successfully performed in all 3 types of solvents, whereby the best result is achieved in a surfactant-free microemulsion. In addition, our surfactant-free system allows for reducing the temperature during the Heck reaction. The studies further reveal that the structures built up by surfactants are not necessarily the main reason allowing organic reactions to be carried out in water. Rather, it is a question of solubility and stability of the reaction components. Better solubility does not always correlate with increased reactivity. We thus provide a deeper understanding of solvent – reactivity relationship and want to advert an approach beside micellar solvents for transferring organic reactions into environmentally friendly aqueous reaction solutions.

Study and optimization of formulation parameters during freeze–drying cycles of model probiotic: Morphology characterization of lyophilisates by scanning electron microscopy

These experimental data are concerning the optimization of freeze-drying cycles of a model-type Casei probiotic bacteria with water based formulations using lactose and polymer polyvinylpyrrolidone (PVP) as cryo-/lyo-protectants. After a previous study devoted to the influence of the main freeze-drying parameters (freezing rates; shelf temperature; absolute pressure) on the bacteria survival ratios, this paper reports some morphological data obtained by scanning electron microscopy (SEM) with the final lyophilisates. The numerous and original SEM images realized with different formulations of water binary or ternary mixtures with fixed operating conditions proved to be very useful to explain and to understand the different bacteria survival ratios observed. Thus, with bacteria or micro-organisms systems, this powerful investigation method of characterization of lyophilisates morphology should be more largely used in the future for setting up the optimal formulations parameters (composition) and the connected operating physical parameters of freeze-drying steps (freezing rate, shelf temperature, absolute pressure).

Phase equilibrium of three-component liquid systems composed of water, alcohol, and sodium chloride studied by the reference interaction-site model integral equation theory.

A theoretical method for calculating the thermodynamic properties and phase equilibria of a binary liquid mixture using the reference interaction-site model (RISM) integral equation theory, which we had proposed recently, was extended to ternary liquid systems containing salt. A novel dielectric correction of the RISM theory for a mixture of solvents was also proposed. The theory was applied to mixtures composed of water, alcohol, and NaCl, where the alcohol was either methanol or ethanol. The decrease in NaCl solubility with increasing alcohol molar fractions in the solvent was calculated. In the ethanol system, the theory yielded salt-induced liquid-liquid phase separation, which was observed experimentally in a ternary mixture of water, 1-propanol, and NaCl. The phase diagram of the ternary system was determined theoretically.

PVTx properties of the ternary mixture water +1-propanol+n-hexane in the critical and supercritical regions

The PVT properties of the ternary 0.6628water+0.1987propanol-1+0.1385n-hexane mixture (or 0.333 mass fraction of each component, equimass mixture) with fixed concentration were measured. The measurements were made along 24 liquid and vapor isochores between (45.4 and 656.7) kg⋅m−3 and cover the temperature range from (373−673) K at pressures up to 52 MPa. Temperature and pressure at the liquid-gas phase transition points for each fixed density were measured using the break point technique. The critical property data for the ternary mixture were obtained from the measured PVT data in the critical region. The excess molar volumes of the ternary mixture were calculated using the measured molar volumes of the mixture and the reference molar volumes of the pure components in the supercritical region. The measured data at low densities and pressures (vapor phase) were used to calculate the second and third virial coefficients of the mixture at high temperatures.

Design and multi-objective optimization of hybrid reactive-extractive distillation process for separating wastewater containing benzene and isopropanol

The recycling of wastewater in chemical industry is of great significance because it can recover valuable organic solvents and prevent environmental pollution. In this work, benzene/isopropanol (IPA)/water ternary mixtures were separated by single and double reactive-extractive distillation column processes respectively. We conducted thermodynamic analysis on separation processes of ternary mixture to determine the feasible separation sequence. Furthermore, the processes are optimized by multi-objective genetic algorithm (MOGA) to obtain suitable operating conditions. And the processes were evaluated by the total annual cost (TAC), CO2 emissions (ECO2), extraction efficiency (Eext) and thermodynamic efficiency. The results showed that compared with the traditional triple column extractive distillation (TCED) process, the TAC and ECO2 of the double column reactive-extractive distillation (DCRED) process were dramatically reduced by 52.9% and 49.5%, respectively. Similarly, TAC and ECO2 decreased by 49.5% and 53.5% in reactive-extractive dividing wall column (REDWC) process compared with the traditional process. With application of intensive processes, the final proposed process is more economically and environmentally sustainable than the separation system proposed in currently available literatures. This study can provide reference for the efficient separation of industrial wastewater containing benzene and IPA.

Process of separating acetonitrile and water using LTTMs as entrainer

Abstract New extractive distillation configurations, which use low transition temperature mixtures (LTTMs) as entrainers, have attracted widespread attention among scholars due to their green processes. Furthermore, the design and comparison of different processes can promote the application of new solvents in the future. In this study, two extractive distillation processes, the extractive distillation column (ED) and the extraction dividing wall column (EDW), were selected from previous work. The separation process of acetonitrile (ACN)-water ternary mixtures was studied, and GC3:1(choline chloride/glycolic acid mixture (molar mass 1:3)) and EC2:1((choline chloride/ethylene glycol 1:2 molar mass) were used as entrainers. Minimum consumption energy and the purity of ACN and water were set as the goals, and our sensitivity analysis and economic evaluation results showed that both ED and EDW were effective. As a result, LTTMs can be used in extractive distillation for azeotrope separation.

Solubility of paracetamol in the ternary solvent mixtures of water + ethanol + glycerol at 298.2 and 303.2 K

ABSTRACT The solubility of paracetamol in the ternary mixtures of water + ethanol + glycerol at 298.2 and 303.2 K is determined via the shake-flask method. The reported data extend the solubility database for paracetamol in various solvent mixtures and also is employed to investigate the prediction capability of the cosolvency models for solubility prediction in the sub-binary and the ternary solvent systems. The solubility data are correlated with some cosolvency models and their accuracies are evaluated by the mean relative deviation (MRD) computed for back-calculated solubilities. The results show that the investigated models fit well and can be applied to the ternary solvent system, and the experimental data is relatively more consistent with the calculated values. The prediction ability of the trained Jouyban-Acree model for predicting drug solubility behaviour in the corresponding sub-binary systems is also investigated.

Liquid-Liquid Equilibrium Data of the Ternary Mixture of (Water + Phosphoric Acid + Heptyl Acetate) at 298.2 K and ≈ 102 kPa

Solubility data and tie-line points were experimentally determined for the ternary system (water + phosphoric acid + Heptyl acetate) at T = 298.2 K and ambient pressure. The cloud point method was used to measure the immiscibility region. Type-1 LLE behavior was observed for the investigated system and the plait point data were calculated using the Treybal’s method. The compositions of both aqueous and esteric layers were determined by using of acid-base titration, HPLC method and mass balance equation. The Othmer–Tobias and Hand equations were applied to prove the reliability of tie-line data. Obtained tie-line points were then correlated using the UNIQUAC model and the rmsd results showed that the measured points were satisfactorily regressed by the thermodynamic model. To evaluate the ability of the studied solvent for purification of phosphoric acid, distribution coefficients and separation factors were calculated over the biphasic area. Separation factors were greater than one in all investigated feeds of phosphoric acid for the studied system. Heptyl acetate showed the highest separation factors between all the investigated n-alkyl acetate esters.

Polyvinyl alcohol and graphene oxide blending surface coated alumina hollow fiber (AHF) membrane for pervaporation dehydration of epichlorohydrin(ECH)/ isopropanol(IPA)/water ternary feed mixture

For pervaporation dehydration of ternary azeotropes ECH/IPA/water (50/30/20, w/w,%) produced in epoxy resin manufacturing process, Graphite nanopowder was oxidized to prepare graphene oxide (GO) nanosheets, which were incorporated into a polyvinyl alcohol (PVA)-tetraethyl orthosilicate (TEOS) solution. The GO-PVA-TEOS solution was coated on the surface of a nanoporous alumina hollow fiber (AHF) membrane. The pore size and element composition on the AHF were determined using FE-SEM and energy dispersive spectroscopy. The coating thickness of the GO-PVA-TEOS membrane layer on the AHF was measured using FE-SEM analysis, and XPS, FTIR analysis of the membrane was conducted to confirm the condensation reaction between PVA and TEOS. Pervaporation dehydration of the epichlorohydrin/ isopropanol/water mixtures was conducted using the AHF membranes with and without GO in PVA-TEOS. For pervaporation output, with the addition of 0–1.5 wt% GO in the PVA-TEOS, it was quantitatively reported that the flux declined from 0.17 to 0.09 kg/m2h and the separation factor increased sharply from 1450 to 4844 with feed consisting of the ECH/IPA/water (50/30/20, w/w,%) solution at 30 °C. In terms of the long-term (240 h) pervaporation stability evaluation of 1.0 wt% GO-incorporated membrane, the excellent separation efficiency with increased of flux was obtained.

Experimentally validated extractive spectrophotometric determination method of osmium(VIII) from environmental samples: sequential separation of osmium(VIII), rhodium(III) and ruthenium(III)

ABSTRACT An ethanolic solution of 1, 3–bis(hydroxymethyl) benzimidazole–2-thione (BHMBT), in the presence of hydrochloric and perchloric acid (1 mol L−1), reacts with osmium(VIII) to give pink-coloured complex instantly at room temperature. The coloured species formed is extracted into methyl isobutyl ketone and shows maximum absorbance at 520 nm (hydrochloric acid) and 540 nm (perchloric acid). Excellent linearity with regression equation as y = 0.025x + 0.005 having correlation coefficient R 2 = 0.999 over concentration range of 5.5–30.0 µg mL−1 of osmium(VIII) is achieved with notable molar absorptivity of 4.907 × 104 L mol–1 cm–1. The optimum concentration range is 5.62–29.99 µg mL−1 which is deduced by Ringbom’s plot. Further other features like limit of detection (LOD = 0.15 µg mL−1), limit of quantification (LOQ = 0.48 µg mL−1) and Sandell’s sensitivity (SS = of 0.038 µg cm−2) are determined as well. The stoichiometry of [Os(VIII)–BHMBT] (1:1) complex is confirmed by applying log-log plot scheme. The specificity headed for osmium(VIII) is well studied and proper masking reagents are used where required to improve it. The intra-day and inter-day precision values are found to be brilliant with % relative standard deviation of 0.84 and 0.87 respectively with % accuracy within the range of 99.00–100. The method is effectively used for determination of osmium(VIII) from water samples, binary and ternary synthetic mixtures, simultaneous spectrophotometric determination of palladium(II) and osmium(VIII) and sequential separation of it from other associated metal ions. The method is sensitive and free from interference of associated ions commonly found with osmium(VIII).

Study of the capability of 1-decyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ionic liquid as solvent in the separation of water from 1-propanol or 2-propanol at different temperatures

After the good behavior of different 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ionic liquids (ILs) used as solvents in the separation of 1-propanol and 2-propanol from water, liquid-liquid equilibria data was measured from a system formed by a ternary mixture of water, 1-propanol or 2-propanol and 1-decyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([dmim][Tf2N]) at 283.2, 303.2 and 323.2 K and atmospheric pressure. The non-random two-liquid (NRTL) and universal quasichemical (UNIQUAC) models were employed to obtain the thermodynamic parameters of both ternary mixtures, with good results in all cases. Finally, the capability of [dmim][Tf2N] to separate both azeotropic mixtures was studied through the distribution coefficient and selectivity and compared with the results obtained using different 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ILs.

Highly reproducible, simple and selective analytical method for extractive UV-visible spectrophotometric determination of ruthenium(III): Analysis of catalyst, fissium alloy and sequential separation.

An easy and selective method has been developed for the extractive spectrophotometric determination of ruthenium(III) with 4-(4'-flurobenzylideneimino)-3-methyl-5-mercapto-1,2,4-triazole (FBIMMT) as a chelating reagent. The basis of the method is the formation of stable complex of 'soft base' FBIMMT with 'soft acid' ruthenium(III). The reagent FBIMMT in n-butanol easily forms extractable yellow coloured complex with ruthenium(III) in acetate buffer of pH4.8. The absorbance of [Ru(III)-FBIMMT] complex is measured at 394nm against the reagent blank. Good linearity range of concentration up to 27.0μgmL-1 of ruthenium(III) is attained with correlation coefficient R2=0.998. The optimum concentration range is 6 to 27.0μgmL-1 which is deduced by Ringbom's plot. The apparent molar absorptivity found to be 2.75×103Lmol-1cm-1. Some additional characteristics such as limit of detection (LOD=0.48μgmL-1), limit of quantification (LOQ=1.19μgmL-1), and Sandell's sensitivity (SS=of 0.0367μgcm-2) are also estimated. The composition of [Ru(III)-FBIMMT] complex has been established from Job's continuous variation method, mole ratio method, and log-log plot method. The specificity towards ruthenium(III) is well studied and appropriate masking agents are applied wherever required to boost it. The intra-day and inter-day precision values are found to be brilliant with % relative standard deviation of 0.52 and 0.68 respectively with % accuracy within the range of 99.00-100. The method is effectively used for determination of ruthenium(III) from water samples, binary and ternary synthetic mixtures, fissium alloy samples and catalyst materials. A scheme for sequential group separation of ruthenium(III), palladium(II) and osmium(VIII) has also been developed. The reproducible results of the present method confirm that the method has a good potential for quantitative determination of ruthenium(III) from various matrices.

Combined Experimental and Theoretical Studies on the Prediction of the Isobaric Vapor–Liquid Association Phenomena for Binary and Ternary Mixtures of Water, Ethanoic Acid, and Propanoic Acid

It is a considerable challenge for the phase behavior of chemical separation industry to correlate and predict the vapor–liquid equilibria (VLE) data of the binary and ternary systems containing associating components because it is not known how these forms exist in the experimental condition, such as homogeneous or heterogeneous dimers or trimers, even polymers, and so on. Herein, VLE data for the associating ternary system, water + ethanoic acid + propanoic acid, and the three-constituent binary systems have been measured by different liquid-phase compositions using a Fischer ebulliometer at 101.33 kPa. The structures and distribution of various clusters in water, ethanoic acid, and propanoic acid systems were fully optimized at the B3LYP/6-31+G(d) level of theory using Gaussian 09. Then, we developed a strategy that could calculate the liquid activity coefficients by considering the distribution of the associating components in the strong association systems. This method is called the discrete clusters (DC) model, and, for comparison, Wilson, NRTL, and UNIQUAC models were employed to correlate the VLE data for the three-constituent binary systems. Also, the VLE data of the ternary system were estimated from the DC, Wilson, NRTL, and UNIQUAC models without any additional adjustment. Our DC model, which considered the explicit number of various clusters, showed better agreement and a smaller deviation from the experimental data. These VLE data derived from the DC model can be used for the design and simulation of the distillation behavior of the binary and ternary association systems.

Separation of Acetic Acid from Water Using Organic Solvents: Liquid-Liquid Equilibrium Thermodynamic Investigation

Acetic acid is one of the most important carboxylic acids which is used in many reactions, including the synthesis of acetic esters. Because of industrial and environmental advantages, the separation of acetic acid from dilute aqueous solutions has recently received much attention. In this study we investigated liquid-liquid equilibrium of a ternary system consisted of water+ acetic acid+ organic solvent at various temperatures. In this study, various thermodynamic models (Non-Random Two-Liquid (NRTL) and Universal Quasi-Chemical (UNIQUAC) models) were used to predict the composition of component in aqueous and organic phases. In these models, intermolecular interaction were considered as a binomial function of reverse temperature. The parameters of two models were determined through the optimization of an objective function. Root mean square deviations of the NRTL and UNIQUAC models to predict the composition of the components in the ternary mixture of water+ acetic acid+ organic solvent were 0.0273 and 0.0422, respectively.

Phase Equilibrium Measurements of the Methacrolein–Methacrylic Acid–Water Ternary System at 101.3 kPa

In this work, the isothermal liquid–liquid equilibrium (LLE) and isobaric vapor–liquid equilibrium (VLE) of the methacrolein–methacrylic acid–water ternary mixture were systematically measured using an LLE cell and improved Rose–Williams still under atmospheric pressure. The thermodynamic consistency of LLE data and VLE data was tested by the Othmer–Tobias and Van Ness methods, respectively. The NRTL, UNIQUAC, and Wilson activity coefficient models have been conducted to correlate binary parameters in prediction phase equilibrium based on experimental data. The reliability of three models in equilibrium calculations has been analyzed in detail. All three models are in good agreement with the experimental data.