Surface adsorption of comb polymers by Monte Carlo simulations

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 l_pers. It is found that l_pers 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.     

Accelerator Analysis of Tributyltin Adsorbed onto the Surface of a Tributyltin Resistant Marine Pseudoalteromonas sp. Cell

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 (10^{9.3 ± 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 10^8.2. 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 10^6.8 TBT molecules is adsorbed by a single cell.     

分形理论在固体吸附式制冷系统中的应用研究

固体吸附式制冷系统中吸附剂一般是多孔介质结构，吸附剂的内部结构特征对传热特性和吸附质的传质特性有直接影响，进而影响吸附解吸时间。本文探讨利用分形理论来分析固体吸附剂的结构特点，为目前通过对吸附剂的固化处理来提高吸附剂的传热速率的处理方法提供理论上的分析，并指出最佳分形维数的分形结构。     

Interaction of H2,n-butane and cis-2-butene with Pt and Pt In in NaY: a microcalorimetric study

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.     

Quantum chemical SINDO1 study of vanadium pentoxide

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.     

几种吸附式致冷新工质对的性能预测

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。     

Methanol adsorption and dehydration on alkali metal exchanged NaY zeolites

FT-IR spectroscopy has been applied in a study of methanol adsorption on M^INaY zeolites (M=Li, K, Rb, Cs). Coordinatively and/or hydrogen bonded methanol was registered in the temperature range 300–473 K. Dehydration of methanol to dimethyl ether occurred at 573 and 623 K. It was found that the activity of the catalyst for methanol dehydration strongly depends on the kind of alkali metal cation, and well correlates the IR data relative to methanol adsorption.     

重金属污染物动态吸附试验及数学模拟

本文采用泥沙动力学中Ｒｏｕｓｅ等人用来研究泥沙浓度沿垂线分布的装置。对泥沙吸附重金属污染物进行了动态模拟。试验分有底泥和无底泥两种情况。研究中发现在Ｒｏｕｓｅ装置的水力、泥沙条件下泥沙吸附重金属污染物达到平衡状态需要６小时以上，由极坐标下的重金属迁移转化数学模型方程，在本文具体试验条件下进行数值求解，计算结果和试验结果合良好，说明数学模型是正确合理的试验是可靠的。计算时依据室内静态试验结果，对动态     

吸附法脱除乙烯中少量氧气的吸附剂研究

采用重量法在电子天平上研究了Ｃ２Ｈ４和Ｏ２单组份在５Ａ、１３Ｘ、丝光沸石和碳分子筛等不同吸附剂上的吸附平衡性质和扩散动力学性质。结果表明，在沸石类吸附剂上，Ｃ２Ｈ４的平衡吸附量远大于Ｏ２的平衡吸附量，Ｃ２Ｈ４的吸附扩散速率也大于Ｏ２的扩散速率；在碳分子筛吸附剂上Ｃ２Ｈ４的平衡吸附量大于Ｏ２的平衡吸附量，但Ｏ２的吸附扩散速率远大于Ｃ２Ｈ４的扩散速率，其扩散系数是Ｃ２Ｈ４的２３９倍。单柱评价结果表明，Ｃ２Ｈ４－Ｏ２混合组份通过该碳分子筛吸附剂时，Ｏ２的破点时间长，Ｃ２Ｈ４的纯度可达１００％。加压有利于选择吸附Ｏ２，而且加压吸附、常压脱附再生性能好。该碳分子筛是脱除高浓度乙烯中少量氧气的理想吸附剂。     

Optimizing Naphtha Utilization Based on Molecular Scale Management

The technology of separating normal paraffins from naphtha through adsorption using 5A molecular sieves was studied. The separation efficiency of the normal paraffins was above 99.99%. Using the desorption oil as the feedstock of steam cracking, the ethylene yield increased from 29.7-35.0% to 41.4-49.2% compared to that of the naphtha. The research octane number of the raffinate oil reached more than 85 units with an increase of 20 units compared to that of naphtha.