A computational study into the reactivity of epichlorohydrin and epibromohydrin under basic conditions in the gas phase and solution

Ab initio molecular orbital calculations were carried out on epibromohydrin (EBH) and epichlorohydrin (ECH) in an attempt to elucidate their reactivity with respect to a hard nucleophile, hydroxide. These systems were modeled in both the gas phase and a polar solvent under basic conditions. In the gas phase, it was determined that a direct displacement mechanism (nucleophilic attack at the C1 position) was operative for EBH, while an indirect pathway (nucleophilic attack at the C3 position and subsequent intramolecular displacement) was followed for ECH. In an acetone solution, only the indirect displacement mechanism was found to occur. An electrostatic argument is advanced to account for this behavior in polar solution. Copyright © 2007 John Wiley & Sons, Ltd.     

气体催化裂解法制备高纯碳纳米管的研究

利用有机气体化学裂解技术 ,用二甲苯作碳源 ,二茂铁作催化剂 ,噻吩作助长剂 ,氢气作载气 ,对碳纳米管的制备进行了研究 .研究结果表明 ,二甲苯流量、氢气流量及有机气体裂解温度等工艺参数对碳纳米管的产量及形态有很大的影响 ;在反应温度为 10 0 0～ 110 0℃ ,氢气流量为 15 0mL·min- 1,二甲苯的流量为 0 .12 1mL·min- 1时 ,能获得直径为 4 0～ 10 0nm的碳纳米管 ,碳纳米管的纯度可达 95 %以上 .     

氧化铁浆液脱硫的实验研究与理论分析

本文实验研究了氧化铁浆液在酸性环境下脱除烟气中的二氧化硫气体。实验在一自制的脱硫塔中进行。通过燃烧液化石油气来产生烟气,将氧化铁的超细粉加入水中作为脱硫介质。实验中研究了二氧化硫初始浓度、水气比对脱硫效率的影响。从实验结果可以看出,脱硫率随着水气比的增加而增大;随二氧化硫的初始浓度的增加,其脱硫率呈降低趋势。在文中同时分析了氧化铁浆液的脱硫机理和此方法脱硫的优点以及目前存在的问题。     

气体放电等离子体特性测量I-V曲线不对称性的研究

利用气体放电双探针法研究了等离子体的I-V曲线中的电流I相对于电压V轴交点的不对称性,并提出2种可能的解释:一认为是由于两探针表面积不同引起的;二认为是由于探针所在处等离子体电位不等引起的.本文利用仪器的工艺误差和调换放电管电压的方法,对提出的2种可能原因分别进行验证,并指出第二种解释的合理性,并对其进行了理论分析.     

Atomistic packing models for experimentally investigated swelling states induced by CO2 in glassy polysulfone and poly(ether sulfone)

Atomistic packing models have been created, which help to better understand the experimentally observed swelling behavior of glassy polysulfone and poly (ether sulfone), under CO₂ gas pressures up to 50 bar at 308 K. The experimental characterization includes the measurement of the time‐dependent volume dilation of the polymer samples after a pressure step and the determination of the corresponding gas concentrations by gravimetric gas‐sorption measurements. The models obtained by force‐field‐based molecular mechanics and molecular dynamics methods allow a detailed atomistic analysis of representative swelling states of polymer/gas systems, with respect to the dilation of the matrix. Also, changes of free volume distribution and backbone mobility are accessible. The behavior of gas molecules in unswollen and swollen polymer matrices is characterized in terms of sorption, diffusion, and plasticization. © 2006 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 44: 1874–1897, 2006     

双电极对双脉冲激光器结构分析

本文对双电极对双脉冲激光器的谐振腔结构进行了分析,结果表明采用双非稳腔和增大反射镜的曲率半径可分别获得单纵模和基横模输出。为使输出能量稳定,则双电极对的间距有一最小值的限制。     

低温二维电子气体的比热容

运用闭路格林函数方法，得到了二维电子气体热力学势的表达式，同时还得到了新的交换项，这个交换项可以化为已知的由虚时方法得到的表达式，但在低温下它没有奇异性，这表明，虽然闭路格林函数方法和虚时方法在总体上是等价的，但在一些技术细节上前者优于后者，此外，从导出的热力学势出发计算了二维电子气体在低温下的比热容。     

Analysis of Pyrolysates for Phenol Formaldehyde Resin by Py-GC/MS

Pyrolysis of phenol formaldehyde resin has been investigated by Pyrolysis Gas Chromatography-Mass Spectroscopy at the different temperatures from 500℃ to 750℃. Its composition of pyrclysates has been analyzed. Several compounds, especially benzene, toluene, p-xylene could only be formed above 500-550℃. Howerver, peak intensities for some pbend derivatives were decreased at the higher temperature. During pyrolysis, for thermo-setting phenol formaldehyde resins, polymeric chain scissions take place as a successive removal of the monomer units from the polymeric chain. The chain scissions are followed by secondary reactions, which leads to a variety of compounds. Addition reactions can also take place among the double-bond compounds during pyrolysis.     

Flaked capillary columns with crown ether complexes for gas-liquid chromatography

Flaked capillary columns with an OV-101/CE-Na{in3}PO{in4} hydrophobic-hydrophilic sorbent have been suggested. This sorbent provides for the analysis of polar and nonpolar substances, including amines and aminoalcohols, in aqueous and organic solvents. The efficiency of new columns was demonstrated for the analysis of 25 organic substances of various classes.Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 12, pp. 2169–2173, December, 1994.The work was financially supported by the Russian Foundation for Basic Research, Project No. 93-03-4969.     

Chromatographic characterization of thermally upgraded products from alternative fuels

An overview is presented of the analytical approaches developed by our research group over the last ten years for analysis of alternative fuel, both biomass and fossil. The alternative fuels are analyzed successively by PLC-8 (preparative liquid chromatography–group-type) fractionation and high resolution gas chromatography. Some of the possibilities for fractionation and characterization of alternative fuels are herein exemplified with sugar cane bagasse pyrolysis products.