Development of machine learning based prediction models for hazardous properties of chemical mixtures

Lower flammability limit (LFL), upper flammability limit (UFL), auto-ignition temperature (AIT) and flash point (FP) are crucial hazardous properties for fire and explosion hazards assessment and consequence analysis. In this study, a comprehensive prediction model set was constructed by using expanded chemical mixture databases of chemical mixture hazardous properties. Machine learning based gradient boosting quantitative structure-property relationship (GB-QSPR) method is implemented for the first time to improve the model performance and prediction accuracy. The result shows that all developed models have significantly higher accuracy than other regular QSPR models, with the 5-fold cross-validation RMSE of LFL, UFL, AIT, and FP models being 1.06, 1.14, 1.08, and 1.17, respectively. All developed QSPR models can be used to estimate reliable chemical mixture hazardous properties and provide useful guidance in chemical mixture hazard assessment and consequence analysis.     

1949年以来中国环境与发展关系的演变

从IPAT方程出发,发现了环境影响随着经济发展或时间的演变依次遵循三个"倒U型"曲线规律,即环境影响强度的倒U型曲线、人均环境影响的倒U型曲线和环境影响总量的倒U型曲线。根据此规律,可以将该演化过程划分为四个阶段即:环境影响强度高峰前阶段、环境影响强度高峰到人均环境影响量高峰阶段、人均环境影响量高峰到环境影响总量高峰阶段以及环境影响总量稳定下降阶段。在环境演变的不同阶段,主要驱动力存在着明显的差异。在环境影响强度高峰前阶段,资源消耗或污染物排放增长更多地由资源或污染密集型技术进步驱动;在资源消耗或污染物强度高峰到人均资源消耗或污染物排放高峰阶段,主要由经济增长驱动;而在人均资源消耗或污染物排放高峰到资源消耗或污染物排放总量高峰阶段以及总量高峰以后的发展阶段,则主要由节约高效技术或污染减排技术进步来驱动。实证分析表明,中国目前环境与发展关系基本上处于经济增长主要驱动的环境影响强度高峰向人均环境影响高峰过渡阶段,这同时意味着中国要在短期内实现人均环境影响和环境影响总量高峰的跨越是异常困难的。     

新疆“十五”至“十一五”期间影响工业固废产生及排放的主要社会经济因素分析

采用灰色关联分析,找出了影响工业固废量的主要社会经济因素,认为第二产业是影响工业固废的主要因素。第二产业结构比重加大,工业固废量增加。从减少工业固废的角度来看,调整产业结构已是当务之急;环境污染治理投资与工业固废因子关联度最小,说明环保投资已远不能满足环境治理的实际需要,需加大环保投资。     

偶氮类染料脱色率的定量构效关系

偶氮类染料的生产和使用过程中存在着三废多、难脱色和污染严重等问题,该染料是印染工业的主要污染物。选取偶氮类染料的分子结构参数和其光催化氧化脱色率之间建立定量结构活性关系(QSAR),进而得到回归方程,为印染废水处理和染料环境行为评价提供理论预测。结果表明,偶氮类染料的光催化氧化脱色率与其结构之间存在着线性相关性,线性方程为:D=0.647μ+66.277,(D为脱色率、μ为偶极矩)R=0.989方程具有预测能力。     

经济与环境发展关系研究进展与述评

经济与环境发展关系一直备受关注。国内外关于经济与环境关系的研究多年来有不同程度的发展。文章对经济与环境协调发展研究的基本特征、研究形式进行了探讨。在经济与环境关系的实证研究方面,主要3种表现形式:①对投入产出模型、非线性的扩展型生产函数及新古典经济模型等经典模型进行了应用研究;②以协调发展指标、环境承载力对区域经济与环境的协调发展进行评判;③以环境库兹涅茨曲线来表现区域经济与环境的关系。未来对于经济与环境关系的研究应该注意:通过采用时间序列和横截面相结合的方法来减少环境数据欠缺的限制;注重经济发展与环境建设的相互作用的研究;注重探究经济与环境背后作用机制;通过拓宽环境指标、模型改进、改变内生缺陷等方式来完善环境库兹涅茨曲线研究。     

Target Gap of Emission Reduction for China:Analysis based on Elastic Decoupling

The present paper analyzes historically the relationship between carbon emission and economic development by different stages through adopting elastic decoupling methods and Tapio evaluation criteria along with a comparison with the national Five Year Plans. The analysis shows that the influencing factors to the relationship between carbon emission and economy in China are different, and economic development and carbon emission have less connection in the recent 30 years of reform and opening-up in China. It is a difficult task to realize the promise that we will reduce carbon emission by 40%-50% in 2020 based on the data from historical experience and different expectations for economic development from economists. Through constructing the calcula- tion model of carbon emission intensity gap according to different development scenarios, the analysis shows that economic growth, infrastructure investment and further development of industrial-ization are the main drivers to the increase of carbon emission, technological progress, and particularly, the reduction of energy consumption is the primary means to reduce carbon emission in China. It is imperative to transform the economic growth pattern, and it is a grand task to perform and there is a long way to go for China to maintain economic growth and reduce carbon intensity.     

基于"脱钩"模式的低碳城市评价

由于历史及现状等诸多因素,以二氧化碳减排绝对量为基础的低碳城市评价模式并不适用于中国;本研究从经济发展、物质消耗与污染物排放相互关系的视角,以"脱钩"模式为目标层,经济发展、碳排放、污染物排放与经济发展为准则层,CO2排放等8个具体指标为指标层建立低碳城市评价指标体系,定量描述经济发展过程中单位GDP污染物排放降低的态势,进而表征城市发展过程中的经济、资源、环境变化的历史趋势并反映城市低碳建设现状.针对沈阳市的案例研究表明,沈阳市2001年至2008年总体的生态效率与资源利用效率呈现逐渐提高的态势,沈阳市现阶段的低碳城市建设水平处于"相对脱钩"阶段,与目前中国经济宏观发展态势相符合.本研究表明,"脱钩"评价模式可以避免基于污染物总量的评价模式中忽略经济发展因素而产生的片面性,可以表征中国当前经济高速发展前提下的城市低碳建设水平,为目前的"低碳城市"评价方法提供有益尝试.     

环保型中小企业借贷环境分析

在经济多元发展的新历史阶段,环保型中小型企业作为正在蓬勃发展和活跃市场的重要经济个体,可以优化产业经济结构,推动循环经济发展.本文从软信息与关系型借贷研究入手,针对目前环保型中小企业财务信息不甚清晰、抵抗外界经济冲击能力有限和融资渠道特殊等特点,建立博弈模型,深入分析完全信息和不完全信息条件下,小额贷款公司与环保型中小企业客户之间的借贷关系.通过整体构建基于软信息特征的制度化信用风险控制准则,最终达到合理满足环保型中小企业激增的特殊融资需求.研究结果表明:以关系型借贷理论为依托,为满足各自的市场需求和利益保障,需要充分考虑环保型中小企业贷款客户的各类软信息,建立符合软信息时效性的信贷流程,决策权相对集中的组织结构和面向软信息收集的正向激励机制,从而实现对环保型中小企业客户贷款信用风险的有效控制,最终达到完善区域信用环境、支持中小企业发展和活跃社会主义市场经济的多重目标.     

动态污水处理过程的多模型动态矩阵控制

针对活性污泥法污水处理系统的强耦合和动态变化特性,提出一种用于前置反硝化脱氮工艺的多模型动态矩阵(DMC)解耦控制方法;通过K-均值聚类分析法对外界入水中氨氮浓度进行聚类,获得以聚类中心为入水氨氮浓度的静态模型集合,分别设计线性DMC解耦控制器;再以当前时刻外界进水氨氮浓度和聚类中心为基本元素,构造切换函数,实现多模型切换。将该方法应用于活性污泥1号模型(ASM1)中,获得了较好的动态仿真效果。     

Pathways to urban sustainability

The concept of sustainable development has become very much in vogue in the past decade. We have also observed a shift in the interpretation of this concept from a global perspective to a meso perspective—that is, at a local, regional or sectoral level. This paper aims at highlighting the urban dimension of environmental issues. After a sketch of urban pollution problems and of tools for economic analysis, the notion of urban sustainability will be advocated as a meaningful analytical and policy concept. Next, the main focus of this paper will be on a typological approach to urban sustainability issues on the basis of three characteristic angles, viz. strong and weak sustainability, absolute and relative decoupling and the spatial ecological footprint. Various methodological issues will also be discussed, while the paper will conclude with some perspectives on policy issues. Copyright © 2001 John Wiley & Sons, Ltd.