Liquid-liquid equilibria of ternary 2M1B/2M2B-2M1BOH-H2O and quaternary 2M1B-2M2B-2M1BOH-H2O mixtures

Liquid-liquid equilibria of two ternary mixtures 2M1B-2M1BOH-H[2]O] and 2M2B-2M1BOH-H[2]O were measured at 5, 15 and 25 C. UNIQUAC and NRTL models were fitted to the experimental data using ASPEN PLUS. Both experimental and correlated values of equilibrium compositions were compared with the values predicted by UNIFAC method. The same procedure was extended to the quaternary mixture 2M1B-2M2B-2M 1BOH-H[2]O. The regressed results were in good agreements with experimental data. Original UNIFAC model performed better representation than Dortmund UNIFAC model.

Effect of ternary phosphate-based glass compositions on osteoblast and osteoblast-like prolferation, differentiation and death in vitro

There is currently a need to expand the range of graft materials available to orthopaedic surgeons. This study investigated the effect of ternary phosphate based glass (PBG) compositions on the behaviour of osteoblast and osteoblast-like cells. PBGs of the formula in mol% P2O5 (50)-CaO (50-X)-Na2O (X), where X was either 2, 4, 6, 8 or 10 were produced and their influence on the proliferation, differentiation and death in vitro of adult human bone marrow stromal cells (hBMSCs) and human fetal osteoblast 1.19 (HFOB 1.19) cells were assessed. Tissue culture plastic (TCP) and hydroxyapatite (HA) were used as controls. Exposure to PBGs in culture inhibited cell adhesion, proliferation and increased cell death in both cell types studied. There was no significant difference in %cell death between the PBGs which was significantly greater than the controls. However, compared to other PBGs, a greater number of cells was found on the 48 mol% CaO which may have been due to either increased adherence, proliferation or both. This composition was capable of supporting osteogenic proliferation and early differentiation and supports the notion that chemical modification of the glass could to lead to a more biologically compatible substrate with the potential to support osteogenic grafting. Realisation of this potential should lead to the development of novel grafting strategies for the treatment of problematic bone defects.

Estimation of ternary liquid-liquid equilibria for arene/alkane/ionic liquid mixtures using neural networks

Neural network models have been explored for the prediction of the liquid-liquid equilibrium data and aromatic/aliphatic selectivity values. Four ternary systems composed of toluene, heptane, and the ionic liquids 1-ethyl-3-methylimidazolium ethylsulfate, or 1,3-dimethylimidazolium methylsulfate were investigated at 313.2 and 348.2 K.

Interfacial Properties of LiTFSI and LiPF6-Based Electrolytes in Binary and Ternary Mixtures of Alkylcarbonates on Graphite Electrodes and Celgard Separator

For a better understanding of the adsorption behavior of alkylcarbonate-based electrolytes on graphite electrodes and Celgard separator for Li-ion batteries applications, the interface parameters are determined by contact angle and surface tension measurements. The correlation between these parameters and chemical compositions made of alkyl carbonate with a varying nature of lithium salts (LiPF6 and LiTFSI) and volume fractions of binary and ternary mixtures containing propylene carbonate (PC), ethylene carbonate (EC), and dimethyl carbonate (DMC) is investigated. From the obtained contact angle and surface tension (?L) values for each liquid, the dispersive and polar components of the surface tension (?Ld and ?Lp) of the electrolyte and interfacial free energy between the solid and liquid (?SL) were then calculated using the Young’s equation. The variation of contact angle (?) and the surface tension, as well as the work of adhesion (WA) of binary PC/DMC mixtures on PP, PE, and PET model surfaces were also measured and commented as function of volume fraction of PC in DMC. Finally, the Zisman’s critical surface tension (?C) for studied surfaces was then obtained showing positives slopes of cos ? versus ?L. This behavior is explained by a relative higher adsorption of alkylcarbonates to the hydrogenated supports or graphite. These results are decisive to understand the performance of electrolyte/electrode material/separator interfaces in lithium-ion battery devices.

Magnetic short-range order in the new ternary phase Mn8Pd15Si7

A new compound, Mn8Pd15Si7, is reported to crystallize in a face centered cubic unit cell of dimension a = 12.0141(2) angstrom, space groupFm (3) over barm, and can thus be classified as a G-phase. The crystal structure was studied by single crystal X-ray diffraction, X-ray and neutron powder diffraction and electron diffraction. A filled Mg6Cu16Si7 type structure was found, corresponding to the Sc11Ir4 type structure. The magnetic properties were investigated by magnetization measurements and Reverse Monte Carlo modeling of low temperature magnetic short-range order (SRO). Dominating near neighbor antiferromagnetic correlations were found between the Mn atoms and geometric frustration in combination with random magnetic interactions via metal sites with partial Mn occupancy were suggested to hinder formation of long-range magnetic order. 

Phase Equilibria of Binary and Ternary Systems Containing ILs, Dodecane, and Cyclohexanecarboxylic Acid

This paper reports both the binary and ternary phase behavior of ionic liquids for extracting cyclohexanecarboxylic acid (CCA) from dodecane. This system is a model for the extraction of acids representative of naphthenic acids found in crude oils. In order to develop an effective ternary liquid-liquid extraction system the preliminary selection of ionic liquids was based on CCA miscibility and the dodecane immiscibility with selected ILs. A wide range of ILs based on different cations, anions, cation alkyl-chain length, as well as the effect of temperature on the overall fluid phase behavior is reported. Factors such as variation of cation group, anion effect, alkyl-chain length, and temperature all impact the extraction to various degrees. The largest effects were found to be the lipophilicity of the IL cation and the co-ordination ability of the anion. While CCA capacity increased with lipophilicity of the cation, as did the dodecane. Highly coordinating anions such as trifluoroacetate and triflate demonstrated that highly efficient extraction could be obtained producing favorable tie-lines in the ternary phase diagram. Overall, this study demonstrates that ILs can selectively extract acids from hydrocarbon streams and offers possible treatment solutions for problems associated with the processing of high acid crude oils.

NP-hardness of MAP in Ternary Tree Bayesian Networks

This paper strengthens the NP-hardness result for the (partial) maximum a posteriori (MAP) problem in Bayesian networks with topology of trees (every variable has at most one parent) and variable cardinality at most three. MAP is the problem of querying the most probable state configuration of some (not necessarily all) of the network variables given evidence. It is demonstrated that the problem remains hard even in such simplistic networks.

Ionothermal Syntheses of Nano- and Microstructured Ternary Copper–Indium–Chalcogenides

Ternary compounds of copper indium selenide nano- and microsized materials were prepared through colloidal synthesis using an indium(III) selenide precursor and copper(I) chloride via a microwave-assisted ionothermal route. The indium(III) selenide precursor used in the reaction was formed in situ from a diphenyl diselenide precursor and chloroindate(III) ionic liquids (ILs), also via a microwave-assisted ionothermal route. The crystal structures of three intermediates, namely, CuCl2(OMe)2(H2O)){Cu(PhSeO2)2}n, [CuCl(Se2Ph2)2]n, and [C8mim]3{Cu(I)Cl2Cu(II)OCl8}n, were determined after formation through a ionothermal procedure utilizing metal-containing imidazolium ILs and a selenium precursor with conventional heating. Herein, we compare the use of microwave irradiation over conventional heating with different ILs on the stoichiometry of the resulting products. The influence of the reaction temperature, reaction time, order of addition of reagents, and variation of ILs, which were characterized using PXRD, SEM, and EDX, on the final products was investigated.

Competitive adsorption of reactive dyes from solution: equilibrium isotherm studies in single and multisolute systems

Experimental data of the adsorption of reactive dyestuffs onto Filtrasorb 400 activated carbon (FS400) were determined in an equilibrium isotherm study. As most industrial wastewater contains more than one pollutant, an investigation into the effect of multisolute systems (using the unhydrolysed form of the reactive dyes) on the adsorption capacity was undertaken. Equilibrium isotherm models were employed to describe the adsorption capacities of single, binary and ternary dye solutions. The results of these analyses showed that adsorption of reactive dyes from single and multisolute systems can be successfully described by Langmuir, and Redlich–Peterson equilibrium isotherm models. Experimental data indicated that competitive adsorption for active sites on the carbon surface results in a reduction in the overall uptake capacity of the reactive dyes investigated.