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41.
Gradient-corrected density functional theory was used to investigate the adsorption of H2S on Pd(1 1 1) surface. Molecular adsorption was found to be stable with H2S binding preferentially at top sites. In addition, the adsorption of other S moieties (SH and S) was investigated. SH and S were found to be preferentially bind at the bridge and fcc sites, respectively. The reaction pathways and energy profiles for H2S decomposition giving rise to adsorbed S and H were determined. Both H2S(ad) → SH(ad) + H(ad) and SH(ad) → S(ad) + H(ad) reactions were found to have low barriers and high exothermicities. This reveals that the decomposition of H2S on Pd(1 1 1) surface is a facile process. 相似文献
42.
Nonionic organic contaminants such as phenol, benzene, and toluene from contaminated wastewater on laboratory scale can be effectively sorbed by cellulosic wood pulp sheet incorporated with three polar functional groups. The synthesis was carried out by graft copolymerization reaction of N,N‐dimethylaminoethylmethacrylate with methacrylic acid onto wood pulp. The preparation conditions at which the grafting process proceeds homogeneously are determined. Characterization and some selected properties of the original and grafted wood pulp were evaluated using FTIR and scanning electron microscope, also, the removal of phenol, benzene, and toluene on laboratory scale was investigated by using gas chromatography. It was found that phenol shows the highest removal percent than that of benzene and toluene. The efficiency of removal of the nonionic contaminants is found to be 97%, which shows a great promise for its applicability in the removal of organic contaminates from wastewater. © 2006 Wiley Periodicals, Inc. J Appl Polym Sci 100: 3589–3595, 2006 相似文献
43.
To investigate the effects of multiple weak interactions on the binding of phenolic compounds by polymeric adsorbents, macroporous polystyrene (PS) resin and PS‐based adsorbents with different hydrogen‐bond acceptor atoms (PS CH2( OCH2CH2)n OCH3, n = 0, 1, 2, and 3, denoted as PS‐EG0, PS‐EG1, PS‐EG2, and PS‐EG3) were prepared. The phenol adsorption strength order on these adsorbents was PS/PS‐EG0 < PS‐EG1 < PS‐EG2 < PS‐EG3, indicating that the adsorption on PS and PS‐EG0 was driven by hydrophobic and π–π interactions, and the adsorption on PS‐EG1, PS‐EG2, and PS‐EG3 was driven by a hydrogen bond in addition to hydrophobic and π–π interactions. PS‐EG2 may adsorb a second phenol molecule on each binding site and PS‐EG3 may adsorb second and third ones. The adsorption strength of resorcinol increased in the order of PS, PS‐EG1, and PS‐EG2, indicating that the adsorption was driven by 0, 1, and 2 hydrogen bonds in addition to hydrophobic and π–π interactions. Similarly, the adsorption of phloroglucinol on PS, PS‐EG1, PS‐EG2, and PS‐EG3 was driven by 0, 1, 2, and 3 hydrogen bonds in addition to hydrophobic and π–π interactions because the adsorption strength increased in this order. © 2006 Wiley Periodicals, Inc. J Appl Polym Sci 102: 4652–4658, 2006 相似文献
44.
Shaokai Huang Wei Qin Youyuan Dai 《Journal of chemical technology and biotechnology (Oxford, Oxfordshire : 1986)》2008,83(5):683-687
BACKGROUND: Carboxylic acids are among the most important substances that can be manufactured from biomass. However, the recovery of carboxylic acids from fermentation broths presents a challenging separation problem. To avoid the production of waste salts and net consumption of chemicals in the calcium carboxylate salt process, the use of reversible chemical complexation with polymeric sorbents and extractants is attractive for carboxylic acid recovery. Pyruvic acid is widely used in the manufacture of medicines, pesticides and foodstuffs and can be produced by fermentation. Since the acidity of pyruvic acid (pKa = 2.49) is stronger than that of normal carboxylic acids, and as few reports on the recovery of pyruvic acid are available, the sorption of pyruvic acid from aqueous solution on two types of weakly basic polymeric sorbent, tertiary amine D301R and primary amine D392, was investigated over a wide pH range and at various salt (MgSO4) concentrations. RESULTS: Overloading adsorption of pyruvic acid on both weakly basic polymeric sorbents occurred, with the overloading of D392 being greater than that of D301R. The adsorption of pyruvic acid on both sorbents was greatly affected by the solution pH and the salt concentration in the aqueous phase. An overloading model was able to predict the experimental uptake data very well. CONCLUSION: Solution pH is one of the most important operating conditions, and both polymeric sorbents D392 and D301R can be used to recover pyruvic acid from dilute aqueous solution with high efficiency at a solution pH around 2. The uptake by D392 is greater than that by D301R owing to steric hindrance of the tertiary amine. Copyright © 2008 Society of Chemical Industry 相似文献
45.
Novel calix[4]arene‐poly(ethylene glycol) crosslinked polymer (CCP) has been synthesized by the polycondensation reaction between a p‐tert‐butylcalix[4]arene derivative and dihydroxyl capped poly(ethylene glycol) (DHPEG, Mn = 1000) catalyzed by neodymium tosylate. The hydrogel, consisted of 66.9% water and 33.1% CCP, can selectively extract aromatic organic molecules from aqueous solution according to the diameter of the guest molecules, which infers that the diameter of the calix[4]arene cavity is about 5.4 Å and the conformation of calix[4]arene units altered from cone conformation to 1,3‐alternate conformation during the polycondensation reaction. Furthermore, CCP can also adsorb naphthalene from gas phase, showing much higher capacity than active carbon does, which may have some potential applications in the field of separation and environment protection. © 2008 Wiley Periodicals, Inc. J Appl Polym Sci, 2008 相似文献
46.
This paper reports off-lattice Monte Carlo simulations of highly-branched comb homopolymers weakly adsorbed on a flat, featureless surface showing only covolume and dispersion interactions with the adsorbate. A minimal coarse-grained model, described by hard spheres connected by harmonic springs, was employed. The interaction energy of the adsorbed combs and linear chains is first discussed as a function of the molecular mass and of the number of beads in contact with the surface. The molecular size is then investigated as a function of backbone length and branching density at a fixed arm size. The apparent swelling exponents of the adsorbed combs are larger than those of the corresponding linear chains, and much larger than that of the free molecules. This result indicates a surface-induced stiffening of the comb backbone, further studied through the persistence length lpers. It is found that lpers increases upon adsorption over the free-molecule value, more so the larger is the branching density. Finally, the thickness of the adsorbed layer, the surface-induced molecular anisotropy and the molecular aspect ratio are investigated as a function of branching density and molecular mass. 相似文献
47.
Haruo Mimura Ryusei Sato Yu Sasaki Yuichi Furuyama Akira Taniike Kazutoshi Yoshida Akira Kitamura 《International journal of molecular sciences》2008,9(10):1989-2002
Tributyltin (TBT) released into seawater from ship hulls is a stable marine pollutant and obviously remains in marine environments. We isolated a TBT resistant marine Pseudoalteromonas sp. TBT1 from sediment of a ship’s ballast water. The isolate (109.3 ± 0.2 colony-forming units mL−1) adsorbed TBT in proportion to the concentrations of TBTCl externally added up to 3 mM, where the number of TBT adsorbed by a single cell was estimated to be 108.2. The value was reduced to about one-fifth when the lysozyme-treated cells were used. The surface of ethanol treated cells became rough, but the capacity of TBT adsorption was the same as that for native cells. These results indicate that the function of the cell surface, rather than that structure, plays an important role to the adsorption of TBT. The adsorption state of TBT seems to be multi-layer when the number of more than 106.8 TBT molecules is adsorbed by a single cell. 相似文献
48.
Pt NaY and Pt In NaY adsorption properties have been compared by using probes like H2, C4H10, 2-C4H8 and microcalorimetry. It appears that the addition of In to Pt does not change the initial heat of H2 chemisorption but decreases the initial heat of butane and butene chemisorption. 相似文献
49.
An improved set of parameters for vanadium in the semiempirical quantum chemical SCF MO method SINDO1 is presented. It is shown that both the geometries and heats of formation of a number of vanadium-containing compounds calculated by this method are in good agreement with available experimental data. Model clusters of increasing size are used for the study of geometric and energetic properties of vanadium pentoxide. Both hydrogen atom and proton adsorption on the (010) surface of vanadium pentoxide and a subsequent formation of different oxygen vacancies have been investigated. Based on these computational results the reactivities of V2O5-surface oxygen atoms for adsorption are discussed. 相似文献
50.
几种吸附式致冷新工质对的性能预测 总被引:3,自引:1,他引:2
应用吸附平衡基本理论对几种可能的吸附式致冷新工质对的性能进行了预测。结果表明,烷烃系列的低混点工质与沸石的配对体系是不可取的,而沸石-氨、活性炭-丙酮、活性炭-氨及活性炭-乙醇则是沸石-水、活性炭-甲醇体系的适宜的替代物。 相似文献