1. INTRODUCTION Study on the deposition of metal ions on ACFs indicated that such a process consists of several consecutive steps [1]: (1) transfer of the solvated ions (metal ions) from the bulk solution to the proximity of the ACFs surface; (2) absorpt… 相似文献
1-Butyl-3-methylimidazolium tetrafluoroborate ([bmim][BF4]) is one of the promising room-temperature ionic liquids. To test the refined force field for [bmim][BF4] proposed in our previously work (J. Phys. Chem. B, 2004, 108, 12978-12989), thermodynamic properties of mixtures of [bmim][BF4](1)+ acetonitrile (2) are presented by using molecular dynamics over the whole concentration range. The calculated densities are in good agreement with the experimental data with deviations less than 2%, indicating the force field is applicable to the mixtures. In addition, the diffusion constants, viscosities, heats of vaporization, cohesive energy densities and excess properties of the mixtures are reported. The microscopic structures are discussed in detail, corresponding to the thermodynamic properties. 相似文献
Oral clonidine, used as an antihypertensive, can result in some side effects such as dry mouth, drowsiness, dizziness and sedation; thus, clonidine transdermal drug delivery (TDD) was considered. Use of the controlled release membrane was one of the methods in TDD systems to regulate the permeation properties. A new type of copolymer membrane that controlled clonidine linear release in TDD system was synthesized by UV radiation. This membrane consisted of three monomers: 2-hydroxy-3-phenoxypropylacrylate, 4-hydroxybutyl acrylate and diethyl maleate. The membrane had both fine permeation properties and perfect physical properties when three monomers were in the weight ratio of 4:4:2; this type of membrane was chosen as an optimized membrane. It was found that the membrane controlled clonidine zero-order release, the permeation rates decreased with the thicknesses of membranes increasing, and the permeation rates were linearly dependent on the square root of the concentration of clonidine. Furthermore, the optimized membranes were characterized by FTIR, DSC and SEM. 相似文献
The thermal reaction of HNCO has been studied in a static cell at temperatures between 873 and 1220 K and a constant pressure of 800 torr under highly diluted conditions. The reaction was measurable above 1000 K by FTIR spectrometry. The products detected include CO, CO2, HCN, NH3, and the unreacted HNCO. In this moderate temperature regime, the rates of product formation and HNCO decay cannot be accounted for by a previously established high-temperature mechanism, assuming HNCO → NH + CO (1) as the initiation process. Instead, a new bimolecular reaction, 2HNCO → CO2 + HNCNH (2), has been invoked to interpret the disappearance of HNCO as well as the formation of various products, most importantly CO2. The concentration profiles of all measured species can be quantitatively modeled, throughout the temperature range analyzed, by varying k2 using a modified mechanism. The kinetically modeled values of k2 can be effectively represented by This result agrees closely with that computed with the conventional transition-state theory using the TST parameters predicted by the BAC-MP4 method: The bimolecular reaction takes place via a stable 4-membered ring intermediate which is isoelectronic with diketene; viz. 相似文献
The optical characteristics of absorption and circular dichroism (CD) spectroscopy of an alpha-subunit of C-phycocyanin (C-PC) were investigated by using time dependent density functional theory (TDDFT) combined with the polarizable continuum model (PCM). When the protonation of alpha-84 phycocyanobilin (PCB) and its interaction with the protein moiety in C-PC have been taken into account, satisfactory assignment of the absorption and CD spectra of alpha-84 PCB can be achieved. The TDDFT-PCM calculations conclude that in the visible absorption region the main peak arises from the pi electron excitation of the pyrrole rings and the shoulder peak comes from the charge transfer from Asp87 (a nearby amino acid residue) to PCBH(+). 相似文献
Various methods for the preparation of metal oxide catalysts for environmental control purposes are described. These include coprecipitation, sol-gel, and impregnation, and are used to prepare mixed oxide catalysts of the types SnO2-MO2 (M=Ce or Zr), SnO2-Ln2O3 (Ln = lanthanide), Ln-doped CeO2, Cr (VI)-doped SnO2, and Cu(II)-doped SnO2. The aggregation in stable colloidal sols of SnO2, CeO2 and ZrO2 is dependent on the concentration of the metal oxide. Techniques for the characterisation of these catalyst materials include gas adsorption, X-ray diffraction, and TEM/EDXA. 相似文献
Application of capillary electrophoresis to monitoring the concentration of material penicillin and the intermediates in the manufacturing process of semisynthetic penicillins was investigated. Factors affecting the precision of analysis were screened and optimised by orthogonal array designs. Compared to conventional HPLC methods, the capillary electrophoresis method gives better resolution and faster sample throughput. Other advantages of the capillary electrophoresis method over HPLC methods include much less consumption of buffer solution and the absence of organic solvents in the analysis. 相似文献