Direct Methods Optimised for Solving Crystal Structure by Powder Diffraction Data: Limits,Strategies, and Prospects

The ab-initio crystal structure solution by powder diffraction data requires great efforts because of the collapse of the experimental information onto the one dimensional 2θ axis of the pattern. Different strategies will be described aiming at improving the process of extraction of the integrated intensities from the experimental pattern in order to make more straightforward the structure solution process by direct methods. Particular attention will be devoted to the EXPO program. Some of its performance will be analysed and results will be shown.     

苯部分加氢催化剂失活原因的研究

探讨了环己醇装置苯部分加氢催化剂失活的原因，分析了失活机理，并结合实例——母液置换法解决催化剂的氮化物中毒。     

铜基催化剂孔隙率对气体有效扩散系数的影响

研究了18种具有不同孔结构参数的粒状铜基甲醇合成催化剂孔隙率对有效扩散系数的影响。结果发现，催化剂微孔孔隙率增大，曲节因子亦增大，扩散阻力增加。将孔隙率与催化剂曲节因子关联，得到了半经验方程，用它可估算催化剂的曲节因子。     

卤素置换反应用氯化锌催化剂的再生

研究了用于催化卤素置换反应后的氯化锌催化剂的再生方法。其过程包括：用石灰乳中和，沉淀出氢氧化锌，用氢氧化锌中和氯化锌废液至pH值为5—6，通入氯气氧化氯化锌废液中的有机物，蒸发至必要的浓度。     

Water‐soluble/dispersible cationic pressure‐sensitive adhesives. I. Adhesives from solution polymerization

Pressure‐sensitive adhesives (PSAs) have long been a problem as sticky contaminants for paper recycling mills. The main problem associated with such stickies is that the PSAs in the waste papers deposit on the felts, press rolls, and drying cylinders of paper machines, and this creates problems with paper formation, reducing the paper quality and paper machine runnability. The annual cost of stickies to the U.S. paper industry is estimated to be about $600,000,000–650,000,000. To solve this problem, a series of cationic water‐soluble/dispersible PSAs have been synthesized by the free‐radical solution polymerization of butyl acrylate and [3‐(methacryloylamino)propyl]trimethylammonium chloride in ethanol. The PSA end‐use properties, repulpability in paper recycling, and the effects on the properties of recycled paper products have been studied. The cationic PSAs can be dissolved or dispersed in water if the cationic charge density in the PSA backbone is controlled, and so they do not deposit as stickies during recycling and papermaking processes. Because the PSAs are cationically charged, they can easily be removed from the papermaking system by adsorption onto the negatively charged fibers and fine surfaces. Furthermore, the adsorbed colloidal or dissolved PSAs have little effect on the final paper properties. © 2003 Wiley Periodicals, Inc. J Appl Polym Sci 90: 1624–1630, 2003     

东营凹陷古近系砂岩储集层特征对比

东营凹陷可分为北部陡坡带、中央隆起带和南部缓坡带，由于地质背景有差异，古近系砂岩储集层在不同地区的特征不同：北部陡坡带以近岸水下扇砂砾岩沉积为主，进入晚成岩期的时间早，深度浅，次生孔隙发育中等，主要分布在1650-2450m深度，3200-3500m深度存在第二次生孔隙带，碳酸盐溶蚀和胶结作用在垂向具有分带性；中央隆起带以浊积扇砂岩为主，但由于断裂发育，酸性水活跃，进入晚成岩期的时间也较早，次生孔隙最发育，又分布范围大，1800-3500m深度均发育次生孔隙，碳酸盐胶结弱，储集层物性最好；南部缓坡带以滨浅湖和三角洲沉积为主，进入晚成岩期的时间晚，次生孔隙发育少，北部和中部物性相对差。图4表1参31     

Phase equilibria of quasi-binary systems consisting of multicomponent polymers 1 and 2. IV: Poly(ethylene oxide)/poly(propylene oxide) systems

To confirm the reliability of the theory of phase equibria of multicomponent polymer 1/multicomponent polymer 2 systems (i.e. quasi-binary systems) and the method of computer experiment based on this theory (Brit. Polym. J., 23 (1990)285; 23 (1990)299; Polym. Int., 29 (1992)219), could point curves (CPC), two-phase volume ratios ( R ) and critical solution points (CSP) have been determined experimentally for the quasi-binary mixtures of poly(ethylene oxide) (M¯_w = 647, M¯_w/M¯_n = 1.15; M¯_w and M¯_n, the weight-average and numberaverage molecular weights, respectively) and poly(propylene oxide) (M¯_w = 2028, M¯_w/M¯_n = 1.08; and M_w = 2987, M_w/M_n = 1.13). The hydroxyl end groups of both polymers were methoxylated in advance by the Cooper & Booth method (Polymer, 18 (1977)164). The thermodynamic interaction parameter between both polymers, χ₁₂, and the concentration dependence parameters for the above quasi-binary systems were determined by the method proposed in a previous paper (Brit. Polym. J., 23 (1990)299). CPC, R and CSP values calculated on the basis of the theory are in good agreement with the values determined experimentally.     

Synthesizing plans that contain actions with context-dependent effects1

This paper presents a method of solving planning problems that involve actions whose effects change according to the situations in which they are performed. The approach is an extension of the conventional planning methodology in which plans are constructed through an iterative process of scanning for goals that are not yet satisfied, inserting actions to achieve them, and introducing subgoals to these actions. This methodology was originally developed under the assumption that one would be dealing exclusively with actions that produce the same effects in every situation. The extension involves introducing additional subgoals to actions above and beyond the preconditions of execution normally introduced. These additional subgoals, called secondary preconditions, ensure that the actions are performed in contexts conducive to producing the effects we desire. This paper defines and analyzes secondary preconditions from a mathematically rigorous standpoint and demonstrates how they can be derived from regression operators.     

关于混凝土钻芯取样法有关标准的讨论

本文对国内不同行业有关混凝土钻总取样方法的标准进行了讨论，供月行在使用和修订相应标准时参考。     

基于AutoCAD2000的图解法确定工艺转角

提出了基于AutoCAD2 0 0 0的图解法求解机械加工过程中工艺转角的问题 ,并针对具体的应用实例给出了圆满的解答 ,并验证了其精度。