Detonation properties of the synthesis gas

Investigated parameters of combustion and detonation of mixtures of the synthesis gas with oxygen and air are presented. The ratios between carbon oxide and hydrogen and between the fuels and oxidizer are varied within wide ranges. The critical energy of detonation initiation is determined. __________ Translated from Fizika Goreniya i Vzryva, Vol. 43, No. 6, pp. 90–96, November–December, 2007.     

A growth mark method for studying growth mechanism of carbon nanotube arrays

A novel and simple growth mark method was developed to make marks during the growth process of carbon nanotube arrays. These marks can be read out under scanning electron microscope or optical microscope. Based on this method, the growth rates at different temperatures and under different acetylene partial pressures were measured, from which the activation energy and the order of reaction were determined. Based on our experimental results, the growth of carbon nanotube arrays in our experimental condition could not be diffusion-limited. The measured activation energy could possibly be attributed to the heterogeneous decomposition of acetylene over the catalyst particle. Furthermore the marked array with special segmental structure may be found some applications in the future.     

海水反渗透淡化系统的能耗

通过对海水反渗透淡化系统（SWRO）吨水成本的分析，提出降低SWRO能耗的解决措施，采用能量透平装置（TURBO）或压力转换器（PE）回收浓水的能量传递于进水，不仅可以降低吨水电耗，也可减小一次性投资。值得关注的是，压力转换器，回收效率可达94％，在海水淡化系统中对于降低能耗有更重要的意义。     

Free energy perturbation study on a Trp-binding mutant (Ser88 ->Cys) of the trp-repressor

The Ser⁸⁸Cys mutant of the trp-repressor showed a lower affinityfor the corepressor than the wild-type repressor [G = 1.7 ±0.3 kcal/mol, Chou and Matthews (1989) J. Biol. Chem., 264,18314–18319].A molecular dynamics/free energy cycle perturbation study wasperformed to understand the origin of the decreased affinity.A value (G = 1.58 ± 0.28 kcal/mol) comparable with theexperimental value was obtained by the simulation. Free energycomponent analysis revealed that destabilization of the vander Waals interaction between Ser⁸⁸ and Trp¹⁰⁹ (corepressor)mainly contributed to the decreased affinity of the mutant.The rotational transition of the hydroxyl (sulfhydryl) groupof Ser⁸⁸ (Cys⁸⁸) during the simulations affected the contributionsof Arg⁸⁴ and water to the free energy change in the aporepressorand those of Arg⁸⁴ and Trp ¹⁰⁹ to that in the holorepressor.However, the contributions from different residues compensatedeach other, and the total free energy changes were almost invariablein the various simulations.     

Encapsulation mechanism of N2 molecules into the central hollow of carbon nitride multiwalled nanofibers

Nitrogen molecules have been encapsulated into the central hollows of vertically aligned carbon nitride (CN) multiwalled nanofibers by dc plasma-enhanced chemical vapor deposition with C₂H₂, NH₃, and N₂ gases on a Ni/TiN/Si(1 0 0) substrate at 650 °C. X-ray photoelectron spectroscopy and near-edge X-ray absorption fine structure spectra showed the existence of nitrogen molecules in CN nanofibers. Elemental mapping images with electron energy loss spectroscopy of the CN nanofiber and catalyst metal, and optical emission spectroscopy spectra of the plasma showed the distribution of nitrogen atoms and molecules in the CN nanofiber, catalyst metal, and gaseous precursor, respectively. These studies showed that atomic nitrogen diffused into the catalytic metal particle because of the concentration gradient and then saturated at the bottom of the particle. Saturated nitrogen atom participated in the formation of the CN nanofiber wall but most of nitrogen was trapped in the central hollow of the nanofiber as molecules.     

Thermolysis of the polyyne C8H2 in hexane and methanol: Experimental and theoretical study

The mean lifetimes of polyyne C₈H₂ in hexane were determined at 50, 60, 80, and 100 °C and in methanol at 60 °C. The reactions are second order at all temperatures: ln k₂ = 20.5 ± 1.5-10303 ± 520T⁻¹ and the corresponding activation energy is 85.7 ± 6.3 kJ mol⁻¹ (7164 cm⁻¹). Extrapolation suggests that solutions at 1 mM concentration are significantly unstable at room temperature. Quantum chemical calculations show that polyynes C_mH₂ + C_nH₂ (m + n = 16) could be products, but these were not detected. Alternatively, C₁₆H₂ isomers could form. IR spectra of the solid residues from hexane and methanol solutions were obtained.     

Calcium binding mode of {gamma}-carboxyglutamic acids in conantokins

Conantokin-T (con-T) and conantokin-G (con-G) are two highlyhomologous peptide toxins found in Conus venom. The former isa 21-residue peptide with four -carboxyglutamic acid (Gla) residues(at positions 3, 4, 10 and 14), while the latter is a 17-residuepeptide with five -carboxyglutamic acid residues (at positions3, 4, 7, 10 and 14). Despite the apparent similarity in numberand relative positions of the -carboxyglutamic acid residues,¹¹³Cd-NMR studies indicated a distinct metal binding behaviorfor con-G and con-T. There appears to be four binding sitesin con-G in contrast to one metal binding site in con-T. Toelucidate the mode of calcium binding by the -carboxyglutamicacid residues in these conantokins, we designed various analogouspeptides with their -carboxyglutamic acid replaced by otheramino acid residues. ¹¹³Cd-NMR experiments on conantokin analoguesreveal that the major difference in the number of metal bindingsites between con-G and con-T is due to the residue at position7. We also performed molecular simulations to calculate therelative binding free energies of several potential bindingsites. Based on our theoretical and experimental results, wepropose a `four-site' binding model for conantokin-G and a `single-site'binding model for conantokin-T.     

城市污水低位热能回收利用的研究

利用污水水源热泵,可回收城市污水的低位能源。回收的能源可用于制热或制冷。通过将污水水源热泵与地下水水源热泵系统和燃气+空调供冷相结合的供能方式进行比较得出结论,综合各项费用污水水源热泵最省,地下水水源热泵次之,燃气+空冷空调系统的费用最高。     

销钉机筒挤出机内销钉附近物料流场分析及功率计算

采用当量粘度的方法，基于牛顿流体模型，提出销钉机筒挤出机内销钉附近流场的应力及速度分布数学模型和销钉消耗功率的计算方法。用NR／炭黑混炼胶进行的挤出过程中销钉消耗功率的研究结果表明，实测值与计算值的相对误差只有4％。     

The kinetics of B‐a and P‐a type copolybenzoxazine via the ring opening process

The structure of benzoxazines is similar to that of phenolic resin through thermal self‐curing of the heterocyclic ring opening reaction that neither requires catalyst nor releases any condensation byproduct. These polybenzoxazine resins have several outstanding properties such as high thermal stability and high glass transition temperature. To better understand the curing kinetics of this copolybenzoxazine thermosetting resin, dynamic and isothermal differential scanning calorimetry measurements were performed. Three models, the Kissinger method, the Flynn–Wall–Osawa method, and the Kamal method, were used to describe the curing process. Dynamic kinetic activation energies based on Kissinger and Flynn–Wall–Osawa methods are 72.11 and 84.06 KJ/mol, respectively. The Kamal method based on an autocatalytic model results in a total order of reaction between 2.66 and 3.03, depending on curing temperature. Its activation energy and Arrhenius preexponential are 50.3 KJ/mol and 7959, respectively. © 2004 Wiley Periodicals, Inc. J Appl Polym Sci 95: 730–737, 2005