The solubility of CO2 in ester mixtures under high pressures are studied in this article. The constant-volume method is used to determine the solubility of CO2 in DMC + diethyl carbonate system, DMC + propyl acetate system, DMC + propylene carbonate system, and DMC + ethylene carbonate system from 282.0 K to 303.0 K. It is found that the solubility of CO2 in four mixed solvents follows the Henr...

[reaction: see text] The features of various anions having different soft/hard character (aliphatic and aromatic amines, alcohoxydes, phenoxides, thiolates) are compared with regard to nucleophilic substitutions on dimethyl carbonate (DMC), using different reaction conditions. Results are well in agreement with the Hard-Soft Acid-Base (HSAB) theory. Accordingly, the high selectivity of monometh...

Dimethyl carbonate (DMC) is considered as an environmentally benign chemical due to negligible ecotoxicity, low bioaccumulation, and low persistence. However, the traditional process of DMC synthesis via phosgene and methanol is limited in industry owing to the toxic raw material involved. Thus, environmentally friendly phosgene-free processes for DMC production have been proposed and developed...

We have applied the technique of evaluating a nonlocal pseudopotential with a trial function to give an approximate, local many-body pseudopotential which was used in a valence-only diffusion Monte Carlo (DMC) calculation. The pair and triple correlation terms in the trial function have been carefully optimized to minimize the effect of the locality approximation. We discuss the accuracy and co...

A many-flavor electron gas MFEG in a semiconductor with a valley degeneracy ranging between 6 and 24 was analyzed using diffusion Monte Carlo DMC calculations. The DMC results compare well to an analytic expression derived by one of us Phys. Rev. B 78, 035111 2008 for the total energy to within 1% over an order of magnitude range of density, which increases with valley degeneracy. For Bi2Te3 si...

This paper presents the field-oriented control (FOC) of a five-phase induction motor (FPIM) fed from three-to-five phase direct matrix converter (DMC). The article focuses on modulation and DMC, which discusses minimizing problems associated with switching vector selection, sector identification, sequence dwell-time calculations. DMC is controlled space pulse width (SVPWM) technique, eliminatin...

BACKGROUND AND PURPOSE Celecoxib (CXB) is a widely prescribed COX-2 inhibitor used clinically to treat pain and inflammation. Recently, COX-2 independent mechanisms have been described to be the targets of CXB. For instance, ion channels such as the voltage-gated sodium channel, L-type calcium channel, Kv2.1, Kv1.5, Kv4.3 and HERG potassium channel were all reported to be inhibited by CXB. Our ...

Synthesis of dimethyl carbonate (DMC) from CO2 and methanol under milder reaction conditions was performed using reduced cerium oxide catalysts and reduced copper-promoted Ce oxide catalysts. Although the conversion of methanol was low (0.005-0.11%) for 2 h of reaction, DMC was synthesized as low as 353 K and at total pressure of as low as 1.3 MPa using reduced Cu-CeO2 catalyst (0.5 wt% of Cu)....

The composition of the lithium cation (Li(+)) solvation shell in mixed linear and cyclic carbonate-based electrolytes has been re-examined using Born-Oppenheimer molecular dynamics (BOMD) as a function of salt concentration and cluster calculations with ethylene carbonate:dimethyl carbonate (EC:DMC)-LiPF6 as a model system. A coordination preference for EC over DMC to a Li(+) was found at low s...