A comprehensive mixed-solvent electrolyte model has been extended to calculate liquid– liquid equilibria in water–organic salt systems. Also, it has been applied to calculate phase equilibria and speciation in strongly associating systems such as sulfuric acid/oleum (H2SO4+SO3+H2O) in the entire concentration range. The model combines an excess Gibbs energy model with detailed speciation calcul...

The present study focuses on understanding the structural dependence of sulfur (as SO3) solubility in Na2O–B2O3–SiO2 glasses over a broad composition space exhibiting rich variety associations. focus is probing impact (1) role Na+, (2) degree polymerization, and (3) network former connectivity (formation Si–O–B B–O–B linkages) borosilicate glasses. By employing suite state-of-the-art characteri...

The 1 : 1 reaction of MoCl5 with 1,4-Me(SO3Me)C6H4 led to the isolation of crystalline Mo2O2Cl6[μ-κ(2)-1,4-Me(SO3Me)C6H4], 1, in low yields. Attempts to reproduce the synthesis of 1 from MoOCl3/1,4-Me(SO3Me)C6H4 resulted in the good-yield formation of [MoOCl2(μ-Cl)(κ(1)-1,4-Me(SO3Me)C6H4)]2, 2. The 1 : 1 reaction of MoCl5 with 1,4-Me(SO3H)C6H4·H2O selectively yielded Mo4O4Cl8[μ3-1,4-Me(SO3)C6H4...

Calibration ab initio (direct coupled cluster) calculations including basis set extrapolation, relativistic effects, inner-shell correlation, and an anharmonic zero-point energy, predict the total atomization energy at 0 K of SO3 to be 335.96 (observed 335.92±0.19) kcal/mol. Inner polarization functions make very large (40 kcal/mol with spd, 10 kcal/mol with spdfg basis sets) contributions to t...

TiO2/CdS porous hollow microspheres have been one-pot rapidly synthesized by a salt-assisted aerosol decomposition method, and exhibit an excellent photocatalytic activity of 996 μmol h(-1) (50 mg photocatalysts with loading Ru co-catalyst) for hydrogen evolution from aqueous solutions containing sacrificial reagents (SO3(2-) and S(2-)) under visible light (λ ≥ 420 nm). Its high photocatalytic ...