基于复杂系统建模的水管理政策研究进展

基于Agent的建模方法（ABSS）通过自下而上的方式，考察系统中主体的不同状态和行为特征、主体与环境的作用、主体之间的作用，来表征系统的宏观特征，是进行复杂社会环境系统分析和政策研究的重要手段，在水资源、水环境管理系统中得到了有效的应用。本文在大量文献调研的基础上，讨论了ABSS建模方法的基本原理、主要特征、系统构成、分类方法和开发工具等特征，总结了其供水系统发展、水资源分配和流域水资源管理、农业土地和水资源利用、居民用水行为、农业污染控制及人类活动的水环境影响等方面的应用，分析了其在研究内容、研究方法、研究结果等方面的发展趋势，讨论了利用该方法研究我国水资源管理和水污染控制政策的必要性和重要性。     

生态文明建设对环境法理论变革的影响

随着人类社会由工业文明向生态文明的转变，环境法理论也随之发生着变革。近年来。众多学者对环境法理论的变革问题进行了热烈的讨论。生态文明的法律观。承认自然界及其生物具有内在价值。主张人与自然的和谐发展。为生态文明建设提供了坚实的法学理论支持。     

期权理论在排污权初始分配中的应用

排污权交易是当前总量控制目标下最具潜力的环境政策,它兼有环境质量保障和成本效率优化的特点.在对国内外排污权交易和初始分配充分考察的基础上,提出了在排污权初次分配中引入期权机制的尝试,并对这种方法的理论基础作了分析和讨论.     

中国可持续发展综合评价研究

可持续发展作为一个动态、开放的复杂巨系统。人口、资源、经济、环境和科技构成了其关键要素。本文基于PREEST系统模型。首先提出了一套中国可持续发展综合评价指标体系：同时。借助于主成分分析法和隶属度分析法。就中国1987～2001年度的综合发展指数与协调发展指数进行了实证分析；最后。基于研究成果。对中国未来的可持续发展提出了若干政策建议。     

企业需要建立人性化的安全管理

由于我国对企业特别是海外来大陆投资的企业，缺乏严格的安全管理手段，致使不少企业屡次出现安全事故。为了减少企业安全事故的发生，提高企业安全度，要求企业在贯彻“安全第一，预防为主”的基本方针的基础上。建立“以人为本。以制度和伦理道德为约束的人性化的安全管理系统”。本文给出了该系统的模型，并对此模型进行了分析和解释，探讨了相关的几个理论基础，最后给出了人性化安全管理的实质。通过该系统的管理执行，使企业在尊重人权、尊重生命的前提下发展壮大，最终实现安全的全球化。     

Prenatal diagnosis of femur-fibula-ulna complex by ultrasonography in a male fetus at 24 weeks of gestation

We present a case of ultrasonographic prenatal diagnosis at 24 weeks of femur—fibula—ulna (FFU) complex. To our knowledge, this is the first report of an early prenatal diagnosis of FFU.     

社会和谐与可持续发展

本文运用系统科学原理阐释了社会和谐的内涵,指出社会和谐须以人与自然和谐为基础,以人与人之间的平等、友爱和同合作为表征,其构建与实现应遵从人类社会的演化规律,依赖予在把握人类社会需求演绎、协同人与自然关系的基础上推动生产力的高效有序发展和自然资源、生态环境的可持续支持.进而从可持续发展角度,提出了人与自然和谐的"双剩余理论",以揭示其间的供瓣枧理和协同准则;推导出了社会收益分配的相对公平系数,以衡量人与人公平要求下的社会和谐.针对国情和战略目标要求,提出了以加强小城镇建设为轴心的城市、小城镇与农村人流、物流、财流和信息流合理聚散的"三元结构"发展模式,以促进我国和谐社会的建设和可持续发展战略的有序实践.     

Pt-Sn/Al2O3蜂窝催化剂催化氧化C6烃

采用等体积分浸法制备Pt-Sn/Al₂O₃蜂窝催化剂（Pt含量仅为0.06wt%）.运用X射线衍射（XRD）、透射电镜（TEM）等技术对催化剂理化性质进行表征,并选取4种代表性C₆烃（苯、环己酮、环己烷和正己烷）对催化剂性能进行评价.活性评价试验中,Pt/Sn比为3/1催化效果最佳.此时4种C₆烃转化率达到90%的温度（T₉₀）较Pt催化剂均降低约20℃,其原因在于Sn可将Pt分割为较小的团簇提高Pt分散度.寿命评价试验以环己烷为例同Pt-Sn蜂窝催化剂连续运行720h,催化活性无明显变化,其原因在于,Sn可有效抑制其粒径增长;Pt₃Sn合金降低表面对C₆烃的吸附,减少催化剂表面积炭.     

Density functional theory (DFT) studies of vanadium-titanium based selective catalytic reduction (SCR) catalysts

Based on density functional theory (DFT) and basic structure models, the chemical reactions on the surface of vanadium-titanium based selective catalytic reduction (SCR) denitrification catalysts were summarized. Reasonable structural models (non-periodic and periodic structural models) are the basis of density functional calculations. A periodic structure model was more appropriate to represent the catalyst surface, and its theoretical calculation results were more comparable with the experimental results than a non-periodic model. It is generally believed that the SCR mechanism where NH₃ and NO react to produce N₂ and H₂O follows an Eley-Rideal type mechanism. NH₂NO was found to be an important intermediate in the SCR reaction, with multiple production routes. Simultaneously, the effects of H₂O, SO₂ and metal on SCR catalysts were also summarized.     

Effect of substituents in hydroxyl radical-mediated degradation of azo pyridone dyes: Theoretical approaches on the reaction mechanism

Understanding the degradation behavior of azo dyes in photocatalytic wastewater treatment is of fundamental and practical importance for their application in textile-processing and other coloration industries. In this study, quantum chemistry, as density functional theory, was used to elucidate different degradation pathways of azo pyridone dyes in a hydroxyl radical (HO^?)-initiated photocatalytic system. A series of substituted azo pyridone dyes were synthesized by changing the substituent group in the para position of the benzene moiety, ranging from strong electron-donating to strong electron-withdrawing groups. The effect of dye molecular structure on the photocatalytic degradation reaction mechanism was analyzed and quantification of substituent effects on the thermodynamic and kinetics parameters was performed. Potential energy surface analysis revealed the most susceptible reaction site for the HO^? attack. The calculated reaction barriers are found to be strongly affected by the nature of substituent group with a good correlation using Hammett σ_p constants and experimentally determined reaction rates. The stability of pre-reaction complexes and transition state complexes were analyzed applying the distortion-interaction model. The increased stability of the transition state complexes with the distancing from the substituent group has been established.