煤中吡啶型氮热解机理的量子化学研究

用密度泛函 ( DFT)方法 ,在 UB3LYP/6- 31 G( d)水平上研究了煤中吡啶型氮的热解机理 ,对热解过程中由于官能团周围环境的不同而形成的三类吡啶自由基进行了量子化学计算 ,通过对键的 Mulliken布居数等计算结果的分析 ,分别得到了这三类自由基的热解途径 .并优化得到了反应物、中间体和产物的几何构型 .计算结果表明 ,吡啶型氮主要是以 HCN的形式释放出来的 .NH3 是 HCN二次反应的产物 .     

关于煤化工前途的思考

对煤化工存在的问题做了分析,提出加大科研投入,获取自主知识产权,解决煤化工装置大型化、国产化,坑口气化,煤层气开发利用等煤化工重点问题,适合我国国情的煤化工将有良好的发展前景。     

Flakes of natural carbyne in a diamond mine

Flakes of natural carbyne were found in Liao-Ning diamond mine, China, and examined by HRTEM, XRD and EDX. Lattice fringes and clear SAD patterns were obtained. The interlayer spacings obtained with SAD were in good agreement with those determined on the powders found in Ries crater meteorite by X-ray diffraction. However, they are different in color and shape, the one found in China being black and flaky, but the one in Ries crater meteorite being silver-white and particulate. It was assumed that carbyne might be stabilized by the intercalation of either Si or Fe in nature.     

K_2O－CaO－Al_2O_3－SiO_2系统自释釉瓷化学组成的研究

本文从酸度系数着手，证实了Ｋ２Ｏ－ＣａＯ－Ａｌ４Ｏ久－ＳｉＯ２系统中存在自释釉组成，限定了其组成范围，０．６７％＜Ｋ２Ｏ＜１．２８％，１０．６４％＜ＣａＯ＜１３．６２％，１１．５３％＜Ａｌ４Ｏ３＜１５．３２％，７２．７３％＜ＳｉＯ２＜７４．０４％，并讨论了自释釉瓷的性能。     

炭分子筛概述

阐述了炭分子筛分离的原理，并分别从其制备原料、制备方法、产品用途等方面综述了近年来炭分子筛的新进展。     

Fabrication and amplification of Rhodamine B‐doped step‐index polymer optical fiber

A step‐index polymer optical fiber (SI POF) containing Rhodamine B in poly(methyl methacrylate) (PMMA) has been fabricated by a preform technique. Fluorescence of different fiber lengths were observed and discussed. A high gain (23 dB) for a SI POF with 60‐cm length, 400‐μm diameter was obtained. The Rhodamine B content of the doped SI POF is 5 ppm‐wt. The signal wavelength providing the highest gain for a 60 cm SI POF is around 630 nm, and the optimum fiber length is about 60 cm at 10 kW launched pump power. © 2004 Wiley Periodicals, Inc. J Appl Polym Sci 93: 681–685, 2004     

Two possible emission mechanisms involved in the arc discharge method of carbon nanotube preparation

By investigating the morphologies and microstructures of the cathode deposits prepared by self-sustained arc discharge between graphite rods, we consider that there are two electron emission mechanisms occurring on the cathode: field emission and thermionic emission. The former occurs mainly on the edge of the growing surface, by which we can explain the formation of the outer hard shell of the cathode deposit; while the latter occurs mainly on the growing surface except for the edge area and it is the main cause for the growth of carbon nanotubes.     

无机颜料的表面处理

介绍了无机颜料表面处理的作用及实现途径,并对其作用机理进行了分析,还叙述了表面活性剂的选择和处理方式。     

氧化铝上吸附平衡与动力学的分形特性

在实验测定氧化铝吸附氮气的平衡和动力学过程的基础上 ,由平衡数据得到分形维数 ,对动力学结果分别用欧氏几何和分形几何的动力学模型进行处理 ,比较两种方法得到的扩散系数之间的差别。结果表明 :粉状氧化铝的分形维数为 2 .12 ;采用分形动力学模型得到的扩散系数同欧氏几何扩散模型的结果不一样 ,扩散系数不随浓度的变化而改变 ;而欧氏几何扩散模型中的扩散系数随浓度变化发生改变 ,且变化符合Darken关系     

新型高压密封装置的优化设计

以最低制造成本为优化目标，建立了新型高压密封装置优化设计的数学模型，并给出设计实例。结果表明，采用优化设计可降低制造成本１４．７％。