Volumetric and acoustic studies of aqueous l-arginine·HCl and l-proline in electrolytic and non-electrolytic solutions at various temperatures

Densities and speed of sound of l-arginine hydrochloride and l-proline within the concentration range (0.03–0.2) mol.kg^?1 in water and in aqueous NaCl and Urea are determined between temperatures 288.15 K and 318.15 K and at one atmospheric pressure. Densities and speeds of sound have been used to calculate apparent molar volume of solute ($V_{\phi }$), isentropic compressibility of solution (${\kappa }_S$), apparent molar isentropic compressibility ($K_{S,\phi }$) of solute, limiting apparent molar volume ($V_{\phi }^0$), limiting apparent molar volume of transfer (${\Delta }_{tr}{V}_{\phi }^0$), limiting apparent molar expansibility ($E_{\phi }^0$), limiting apparent molar isentropic compressibility ($K_{S,\phi }^0$) and limiting apparent molar isentropic compressibility of transfer (${\Delta }_{tr}{K}_{S,\phi }^0$). These results are then interpreted in terms of intermolecular interactions. The concentration dependencies of the calculated quantities, their limiting values and temperature characteristics are discussed in terms of solute - solvent and solute - solute interactions at experimental conditions.     

Removal of Fe3+ from ammonium dihydrogen phosphate solution in an impact-jet hydraulic cavitation extractor

The impurity of Fe³⁺ in ammonium dihydrogen phosphate (MAP) solution has a significant influence on the morphology and quality of products. The removal of Fe³⁺ from the MAP solution by Di-(2-ethylhexyl) phosphoric acid (D2EHPA) was investigated in an impact-jet hydraulic cavitation (HC) extractor. The organic phase and aqueous phase can be highly mixed under the action of hydraulic cavitation. The extraction efficiency of 80% can be achieved when the extraction reaction was carried out for only 5 min. It was found that the extraction of Fe³⁺ with D2EHPA was an exothermic reaction, and the equilibrium equation of extraction was obtained by slope method as follows: $F{e}_{(aqu)}^{3+}+8{\left(\mathit{HD}\right)}_{2(org)}={\left(\mathit{Fe}{D}_3·13HD\right)}_{(org)}+3H_{(aqu)}^{+}$After the two-stage extraction, the extraction efficiency of up to 96.7% can be reached (only 3.4 ～ 4 ppm Fe³⁺ remained in the aqueous phase), and the MAP crystals with regular polyhedral structure, single phase nature, and high optical transmittance were obtained.     

Spectroscopic properties and bond dissociation energies of PbX,PbX±, PbX2 and PbX2± (X ​= ​F,Cl, Br,I)

Ab initio calculations have been performed to investigate some of the spectroscopic properties, like geometry, frequency, electron affinity, ionization potential and finally adiabatic bond dissociation energies (BDEs) of lead monohalides, lead dihalides and their ions viz. PbX, PbX^±, PbX₂, $\mathrm{P}\mathrm{b}{\mathrm{X}}_{\mathrm{2}}^{\pm }$ (X ?= ?F, Cl, Br, I) in their ground state at the QCISD(T)//MP2 level of theory using correlation consistent basis sets. For the validation of MP2 optimized geometry and frequency, we further obtained geometry and frequency of all the neutral and ionic systems using QCISD(T) method with the same basis sets. The BDEs of PbX₂ molecules are calculated using the BDEs of $\mathrm{P}\mathrm{b}{\mathrm{X}}_{\mathrm{2}}^{\pm }$ ions and taking ionization potential and electron affinity of various systems. The calculated values are found in good agreement with the available data. Most of the data for ionic systems are reported first time in literature.