Quinary System Research Articles

Using genetic algorithm (GA) and particle swarm optimization (PSO) methods for determination of interaction parameters in multicomponent systems of liquid–liquid equilibria

For the prediction of liquid–liquid equilibria (LLE), Wilson, universal quasi chemical (UNIQUAC) and non-random two liquid (NRTL) models were used. Evolutionary algorithms such as genetic algorithm (GA) and particle swarm optimization (PSO) were used for estimation of binary interaction parameters of these models. These two optimization methods are rarely used in LLE calculations; as far as we know the PSO algorithm has never been used and it is reported for the first time. For ternary, quaternary and quinary systems, the calculation done and the obtained results are compared to experimental data. The reliability of GA and PSO in LLE applications was successfully approved.

Phase Equilibria in the Na, K//SO4, CO3, HCO3 – H2O System at 50°C

Phase equilibria in Na,K//SO4,CO3,HCO3-H2O system at 50°C are studied by the translation method. 32 divariant fields, 36 univariant curves, and 13 invariant points are determined in the system. The first closed phase diagram (phase complex) of the investigated quinary system is constructed. The constructed phase diagram is fragmented into divariant fields of co-crystallization of the two phases at the quinary level.

Partitioning of the quaternary reciprocal system Li,K‖Cl,Br,MoO4 into simplexes and investigation of its partitioning and stable elements

The quinary reciprocal system Li,K‖F,Cl,Br,MoO4 was partitioned into simplexes using graph theory. A tree of phases of the system was constructed, and stable elements were identified. The chemical interaction in the system Li,K‖F,Cl,Br,MoO4 was described by the ion balance method. The stable tetrahedra LiF-KCl-KBr-K2MoO4, LiF-KCl-KBr-LiKMoO4, and LiF-Li2MoO4-KCl-KBr and the united stable pentatope LiF-KF-KCl-KBr-K2MoO4 were studied by differential thermal analysis, and phase states in the studied simplexes were determined. The compositions of crystallizing phases in the bulk of the studied tetrahedra and pentatope were confirmed by X-ray powder diffraction analysis.

Synthesis, characterization and evaluation of bioactivity and antibacterial activity of quinary glass system (SiO2–CaO–P2O5–MgO–ZnO): In vitro study

Bioactive glasses in the systems SiO2–CaO–P2O5–MgO (BGZn0) and SiO2–CaO–P2O5–MgO–ZnO (BGZn5), were prepared by sol–gel method and then characterized. Surface reactivity was studied in simulated body fluid (SBF) to determine the effect of zinc (Zn) addition as a trace element. The effect of Zn addition to the glass matrix on the formation of apatite layer on the glass surface was investigated through X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT–IR) and scanning electron microscopy (SEM). Also, inductively coupled plasma–optical emission spectroscopy (ICP–sOES) was used to determine the concentrations of released ions in SBF solution after different time intervals in SBF solution. The antibacterial activity of Zn containing glass against Pseudomonas aeruginosa was measured by the halo zone test. The presence of Zn in glass composition improved chemical durability, slowed down the formation rate of Ca–P layer and decreased the size of crystalline apatite particles. Zn containing glass exhibited an excellent antibacterial activity against P. aeruginosa which could demonstrate its ability to treat bone infection.

Cyclic growth and dissolution of camphor crystals in quinary, ternary, and binary solutions: A study on crystal behavior in storm glass

“Storm glass” is a hermetically sealed glass tube containing a solution of camphor. In 19th-century England, the pattern and quantity of the crystals were observed and interpreted as a weather forecasting tool. In the present study, the appearance of camphor crystals under cyclic temperature change was studied in three sample solutions, the storm glass solution (quinary system), camphor–ethanol–water (ternary system), and camphor–ethanol (binary system), to elucidate the effect of components in the storm glass on the appearance of camphor crystals. Equilibrium temperatures of camphor crystals as a function of the camphor concentration were also obtained to estimate the quantity of camphor crystals precipitated in the solutions. During the temperature cycles, the crystal height increased and decreased. The ranges (local maxima and minima) of crystal heights gradually decreased to approximately a constant range. Not only the crystal height but also the amplitude of the height variation in the quinary and ternary systems were much larger than those in the binary system, although the estimated weights of crystals precipitated in the quinary and ternary systems were smaller than that in the binary system. This fact resulted from the formation of dendrites in the quinary and ternary systems, which caused high porosity of sedimented crystals.

Liquid–Liquid Equilibria, Density, Refractive Index, and Solubility for Mixtures of Water + Methanol + Heptane + Methylbenzene or + Dimethyl Carbonate at T = 298.15 K

New liquid–liquid equilibrium (LLE) data are presented for the quaternary system of water + methanol + heptane + methylbenzene at T = 298.15 K under atmospheric conditions. The quaternary mixtures were prepared by mixing pure water, methanol, and an equimolar mixed (heptane + methylbenzene). A quinary system containing these compounds and dimethyl carbonate (DMC) was also studied at the same temperature. The quinary mixtures were obtained with three mole fractions (0.25, 0.50, and 0.75) of DMC in the binary (methanol + DMC) mixtures. The compositions of liquid phases at equilibrium were determined by gas–liquid chromatography. The consistency of the experimental LLE data has been confirmed according to the Othmer–Tobias and the Hand correlations. The water composition in the organic phase and the hydrocarbon solubility in the aqueous phase were analyzed in terms of (methanol + DMC) in the global composition. The distributions of methanol and DMC between the aqueous phase and the organic phase were also di...

Phase Behavior of Supercritical CO2 Microemulsion with AOT and its Solubilization Properties of 1,3-propanediol

The phase behaviors of three microemulsion systems were studied in a custom-made volume-variable view cell, including the ternary system of CO2/EtOH (ethanol)/1,3-PDO (1,3-propanediol), quaternary system of CO2/EtOH/H2O/1,3-PDO and quinary system of AOT/CO2/EtOH/H2O/1,3-PDO, using 1,3-PDO as the model compound, AOT (sodium bis(2-ethylhexyl) sulfosuccinate) as surfactant and ethanol as co-solvent in the CO2 continuous phase. The phase behaviors of the AOT/CO2/EtOH/H2O/1,3-PDO quinary system were mainly discussed in the temperature range of 29.1°C–44.3°C and pressure range of 6.41 MPa-15.95 MPa. The result shows that a thermodynamically stable microemulsion can be formed by controlling the operating pressures and temperatures, which can provide basic thermodynamics data for industrial design and proper operating conditions for selectively solubilizing 1,3-PDO from dilute aqueous solution.

Stable tetrahedron LiF-KCl-KBr-K2MoO4 of the quinary reciprocal system Li,K‖F,Cl,Br,MoO4

The stable tetrahedron LiF-KCl-KBr-K2MoO4 of the quinary reciprocal system Li,K‖F,Cl,Br,MoO4 was studied by differential thermal analysis, and phase equilibria were determined.

LiF-LiBr-LiVO3-Li2MoO4-Li2SO4 quinary system

Phase equilibria in the LiF-LiBr-LiVO3-Li2MoO4-Li2SO4 quinary system were studied by differential thermal analysis. A eutectic composition was determined to be 4.0 mol % LiF, 38.4 mol % LiBr, 30.8 mol % LiVO3, 19.2 mol % Li2MoO4, and 7.6 mol % Li2SO4 with a melting point of 372°C and an enthalpy of melting of 164 ± 7 kJ/kg.

Differentiation of the Na,K,Ca,Ba‖F,WO4 multicomponent system and phase equilibria in its stable secant complex NaF-K2WO4-CaF2-BaF2

The Na,K,Ca,Ba‖F,WO4 quinary mutual system was differentiated based on graph theory with consideration of identified internal secant elements using a program complex. For the first time, by a combination of physicochemical analysis methods (differential thermal, visual polythermal, X-ray diffraction and projection-thermal-analytical), the NaF-K2WO4-CaF2-BaF2 quaternary system was studied, which is a stable secant complex of the quinary mutual system. The coordinates of invariant points were determined.

Yolk‐Shell Materials: One‐Pot Synthesis of Yolk–Shell Materials with Single, Binary, Ternary, Quaternary, and Quinary Systems (Small 13/2013)

Yolk‐Shell Materials: One‐Pot Synthesis of Yolk–Shell Materials with Single, Binary, Ternary, Quaternary, and Quinary Systems (Small 13/2013)

Quinary and Eight-Component Liquid–Liquid Equilibria of Mixtures of Alkanes, Aromatics, and Solvent (Furfural)

Liquid–liquid equilibria (LLE) of alkane + aromatic + solvent systems is needed in relation to separation of aromatics from petroleum fractions, for example, naphtha, distillates, and lube oil. Further to earlier work, experimental LLE data for the quinary system “heptane + dodecane + benzene + methylbenzene (toluene) + furan-2-carbaldehyde (furfural)” at three temperatures (298.15, 308.15, and 318.15) K, and for the eight component system “heptane + dodecane + cyclohexane + benzene + toluene +1,2-dimethylbenzene (o-xylene) + ethylbenzene + furfural” at (303.15 and 308.15) K has been obtained. Excellent correlation of data by the nonrandom two-liquid (NRTL) model was seen for the quinary system, with the model parameters found by data regression. The model enabled tie line calculations for the full two-phase region. The UNIFAC-LLE model was also employed and the predicted results were found to be in fairly good agreement with experimental data, though not as close as in the NRTL case.

Phase Equilibria of Na+, NH4+∥SO42–, HCO3–, Cl––H2O Quinary System

Equilibria data for the Na+, NH4+∥SO42–, HCO3–, Cl––H2O quinary system at 10 °C, 30 °C and 40 °C were measured, and the phase diagrams at those temperatures were constructed. Furthermore, the crystallization zones in the phase diagrams are discussed. The results show that the separation of Na+ and SO42– can be performed at 40 °C by adding NH4HCO3.

Densities and Viscosities of the Quinary System: Cyclohexane (1) $$+$$ + $$\varvec{m}$$ m -Xylene (2) $$+$$ + Cyclooctane (3) $$+$$ + Chlorobenzene (4) $$+$$ + Decane (5) and Its Quaternary Subsystems at 308.15 K and 313.15 K

The volumetric and viscometric properties of the quinary system: cyclohexane + $$m$$ -xylene + cyclooctane + chlorobenzene + decane, were measured over the entire composition range at 308.15 K and 313.15 K. The experimental data obtained in the course of the present study were employed to analyze the predictive capability of six semi-theoretical and empirical well-known viscosity models reported in the literature, namely, the generalized McAllister three-body interaction model, the pseudo- binary McAllister model, the group contribution model, the generalized corresponding states principle model, the Allan and Teja correlation, and the Grunberg and Nissan law of viscosity. The predictive capabilities of the models were compared using the percentage average absolute deviation (%AAD). The final results showed that the generalized McAllister model gives the lowest AADs of 3.3 % and 3.7 % at 308.15 K and 313.15 K, respectively.

Vapor–Liquid Equilibrium for 2-Methyl-1-butanol + Ethylbenzene + Xylene Isomers at 101.33 kPa

Vapor–liquid equilibrium (VLE) data for binary systems of 2-methyl-1-butanol with ethylbenzene and xylene isomers are isobarically obtained with a modified Rose still at 101.33 kPa, as well as for the quinary system of 2-methyl-1-butanol + ethylbenzene + xylene isomers. The binary VLE data are considered to be thermodynamically consistent according to the Herington method and the point-to-point test. Taking the nonideality of the vapor phase into consideration, the activity coefficients are calculated. All systems show positive deviation from ideality. The VLE data are correlated using the nonrandom two-liquid (NRTL), universal quasichemical activity coefficient (UNIQUAC), and Wilson models. The calculated vapor-phase compositions and temperature agree well with the experimental values. The obtained model parameters of the binary systems are used to predict the VLE data for the quinary system. The results indicate that these three models allow a good prediction of the phase equilibrium for the quinary system.

Phase Behavior of Supercritical CO2 Microemulsions with Surfactant Ls-36 and Selective Solubilization of Propane-1,3-diol

Supercritical carbon dioxide (scCO2) microemulsion systems were formed in a custom-made volume-variable optical phase equilibrium cell, by employing Ls-36 (dodecyl(poly(ethylene-methylethylene glycol)) ether) as a surfactant, ethanol (EtOH) as a cosolvent, and propane-1,3-diol (1,3-PDO) as a disperse phase in the CO2 continuous phase. The phase behaviors of the ternary system of Ls-36 + CO2 + EtOH, quaternary system of Ls-36 + CO2 + EtOH + H2O, and quinary system of Ls-36 + CO2 + EtOH + 1,3-PDO + H2O were investigated in the temperature range of 303.05 K to 323.25 K and pressure range of 7.81 MPa to 18.99 MPa were studied. Thermodynamically stable microemulsion can be formed by controlling the operating pressure and temperature to selectively extract the 1,3-PDO from its dilute aqueous solution. It was found that a higher concentration of Ls-36 was more beneficial to the solubilization of 1,3-PDO. The results may provide useful thermodynamics data for industrial design and a feasible basis and practical g...

25℃におけるNaCl-KCI-MgCl2-CaCl2-H2Oの相平衡

25℃におけるNaCl-KCI-MgCl2-CaCl2-H2Oの相平衡

100℃におけるNaCl-KCl-MgCl2-CaCl2-H2O系の相平衡

100℃におけるNaCl-KCl-MgCl2-CaCl2-H2O系の相平衡

NaCl-KCl-MgCl2-CaCl2-H2O系の塩化ナトリウム晶出領域の塩濃度 (その1)

NaCl-KCl-MgCl2-CaCl2-H2O系の塩化ナトリウム晶出領域の塩濃度 (その1)

Thermodynamic Analysis and Process Simulation of an Industrial Acetic Acid Dehydration System via Heterogeneous Azeotropic Distillation

In the production of pure terephthalic acid, a tiny amount of reactant p-xylene and byproduct methyl acetate may enter into the acetic acid dehydration system through the feed stream. In this work, considering p-xylene and methyl acetate as feed impurities in the industrial acetic acid dehydration process using n-propyl acetate as entrainer, the binary parameters for the UNIQUAC model of the quinary system were obtained by correlating the phase equilibrium data from experiment and literature. Based on the physical property model, the distillation character of this quinary system in the industrial dehydration process was analyzed, the models of the dehydration process via heterogeneous azeotropic distillation were developed, and the process simulation was conducted with Aspen Plus. The simulation results of key parameters agree well with the process data with the errors within ±6%. Based on the process model, the sensitivity analyses of the bottom water content, reflux flow, two side-draws, and two heat fe...