基于贝叶斯网的生态工业系统中企业Agent协作关系建模

生态工业系统中的每个企业都可以建模为智能Agent。介绍了一种基于贝叶斯网的方法,对各企业Agent之间的协作关系进行建模。该法能有效表达各企业Agent行为策略之间的因果关系,进而可以对生态工业系统中各企业在不同情况下采取的行为策略进行预测和决策。     

工业过程生态生命周期评价的生态累积耗模型

生态生命周期评价(Eco-LCA)作为常规生命周期评价的拓展,提供了一种对工业过程生态影响及可持续性分析评价的方法.但目前Eco-LCA中尚缺失生态累积耗(ECEC)指标的完整模型.本文探讨了工业过程中自然资源消耗、社会经济投入和环境污染危害三种主要影响因素.通过构建囊括资源、经济、环境三要素的工业过程生态累积耗模型,完善了Eco-LCA方法应用于工业过程可持续分析的理论框架.最后,以此生态累积耗模型对中国原油生产进行了示例性分析讨论.     

生态水泥

介绍了生态水泥的新概念,并对城市垃圾、污泥等废弃物的处理现状、生态水泥的生产工艺和国内外生态水泥的现状进行了论述.用城市垃圾和污泥来生产生态水泥拓宽了原材料来源,减少了天然资源的消耗,降低了水泥生产的成本,是一条很有前途的、有利于水泥工业可持续发展的途径.     

生态工业系统分析

利用热力学分析方法研究了生态工业系统内物质、能量流动和利用的复杂模式,反映了其资源利用的热力学本质;在分析的基础上,建立了系统消耗指数、物质循环利用效率等一系列评价指标,反映了系统资源利用的效果和对环境的潜在影响.在案例分析的基础上,进一步分析了指标的工业生态学内涵以及指标之间的关系,研究结果表明了分析方法的有效性和评价指标的实用性.     

生态工业系统(火用)分析

利用热力学(火用)分析方法研究了生态工业系统内物质、能量流动和利用的复杂模式, 反映了其资源利用的热力学本质; 在(火用)分析的基础上, 建立了系统(火用)消耗指数、物质循环利用(火用)效率等一系列(火用)评价指标, 反映了系统资源利用的效果和对环境的潜在影响.在案例分析的基础上, 进一步分析了指标的工业生态学内涵以及指标之间的关系, 研究结果表明了(火用)分析方法的有效性和(火用)评价指标的实用性.     

专家推崇潍坊海化开发区

2005年12月13日，我国海洋化工领域第一家国家生态工业示范园区——潍坊海化开发区国家生态工业园区建设示范，在北京通过了专家鉴定。     

生态风险评价理论和方法

生态风险评价从最初单物种毒性测试数据为基础、从急性毒性数据外推获得慢性毒性数据的简单模型方法,逐步过渡到以多物种测试为基础和通过微、中宇宙生态系统模拟法获取数据、建立模型,以及以生态毒理模型为基础的生态风险评价方法.本文讨论生态风险评价方法的发展过程及不同阶段存在的问题,阐述以个体、种群和生态系统为基础的生态风险评价方法的特点和相互之间的区别,指出生态风险评价正在从个体走向群落的发展趋势.本文同时对风险表征方法、数据选择和常用统计方法作了评述,并对生态风险评价的发展趋势进行了预测.     

核能技术发展的回顾与展望

本文阐述了核能技术的诞生,对其在军事、工业及其他领域的应用进行了系统的评述,展望了核能的未来应用前景。     

冶炼厂烟囱降尘农田土壤重金属含量及潜在生态风险评价

摘要：为了研究冶炼厂下风向烟囱降尘对农田土壤重金属污染影响程度,以济源市某一冶炼厂工业烟囱下风向降尘覆盖农田土壤为研究对象,依次对距离该厂烟囱大约为750m-3000m的7个农田研究区（P1-P7）土壤中重金属（Hg、As、Pb、Cd、Cu、Zn、Ni、Cr、）含量进行污染状况分析,采用了单项潜在生态风险指数法和综合潜在生态风险指数法对冶炼厂下风向烟囱降尘土壤中重金属的潜在生态风险进行评价。结果表明：在3 km2研究区域范围内,距离冶炼厂越近土壤重金属含量越高,Pb、Cd为重度污染,超过了《土壤环境质量农用地土壤污染风险管控标准》（GB15618-2018）农用地土壤污染风险管制值的1.2倍,距离冶炼厂烟囱下风向P1区土壤中重金属As、Pb、Cd、Cu、Zn超过土壤环境质量农用地土壤风险筛选值,Cd 在浓度值均超过农用土壤污染风险管制值1.8倍,As元素平均浓度值超农用土壤污染风险管制值1.7倍,Pb、Cu和Zn污染较严重,Cd、Hg对综合指数（RI）贡献值较大分别为68.63和22.4。单项潜在生态风险指数评价结果显示Cd存在极严重的潜在生态风险,Pb、Cu存在较严重潜在生态风险,冶炼厂下风向土壤中综合潜在生态风险指数评价显示,冶炼厂下风向降尘土壤重金属具有较强的生态风险。     

工业固废资源化过程中组分“分离-转化-定向制备”研究进展

工业固体废物作为一种潜在的混合复杂资源,其价值可随时空变迁而发生改变。目前,对于工业固废的资源循环利用更多的是在微观层次上对多元多相体系的工业固废从化工、冶金、矿物资源加工等角度进行系统研究。本文从“分离”、“转化”和“定向制备”三个方面阐述工业固废资源化过程中组分迁移及控制技术的相关研究进展。首先介绍了工业固废中有价金属的分离(湿法、火法、结晶等),并对分离方法进行了总结和对比;同时,对于较难分离的工业固废,综述了转化(无害化)作用机制及研究现状;最后,对于低品位工业固废的利用难度大、成本高的特点,着重分析了不同工业固废功能性材料的制备及性能研究概况。提出工业固废在“分离-转化-功能材料制备”综合利用过程中的发展方向及建议。     

Two models for the kinetics of the transesterification of dimethyl terephthalate with ethylene glycol

The present work shows that two models assumed for the kinetics of the transesterification of dimethyl terephthalate (DMT) with ethylene glycol adequately describe the kinetics of this system. The models were derived by considering only monomer ester intercharge reactions and were tested using methanol data from the literature. One model was obtained from a series-parallel reaction system while the other from an assumed reaction between a methyl ester group with ethyiene glycol. The two models are equally good up to 88% conversion of methyl ester groups but the first is more comprehensive and perhaps more realistic than the second.     

Selectivity comparison of acetonitrile-methanol-water ternary mobile phases on an octadecylsiloxane-bonded silica stationary phase

The solvation parameter model was used in this study to investigate various intermolecular interactions that influence retention on the standard C18 stationary phase for the solvent system acetonitrile:methanol (ACN:MeOH, 1:1). In comparison to the organic mobile phase modifiers acetonitrile, acetone, methanol, 2-propanol, and tetrahydrofuran, the solvent strength for the ACN:MeOH (1:1) solvent system was evaluated. To facilitate the interpretation of various intermolecular interactions that contribute to retention on a standard C18 stationary phase for the solvent system ACN:MeOH (1:1), system maps were constructed and compared with those of acetone, tetrahydrofuran, acetonitrile, 2-propanol, and methanol. The solvation parameter models were constructed for the ternary solvent system ACN:MeOH (1:1)-water, and in the models constructed, the coefficient of determination values were from 0.998 to 0.999, the Fisher statistic values for the models were from 1687 to 4015, and the standard error of the estimate values ranged from 0.022 to 0.029. The solvent system ACN:MeOH (1:1) has retention properties more similar to methanol than acetonitrile, indicating methanol's influence is more dominant.     

Foundations of retention in partition chromatography

The connection between the observable output in column chromatography (retention time, retention volume, retention factor, separation factor, etc.) and system properties (hold-up volume, pressure, temperature, isotherm behavior, etc.) is discussed from a practical and mechanistic perspective for gas–liquid chromatography, reversed-phase liquid chromatography, supercritical fluid chromatography, micellar electrokinetic chromatography, and capillary electrochromatography. The unifying feature of these techniques is that retention can be described by a partition model, although not always exclusively. When over simplistic system models are used to explain variation in retention parameters they frequently mask the true reasons for poor repeatability and difficulties in transfer between system. Methods employing relative retention afford higher precision but may contain residual uncorrected errors. For those systems with several separate mechanisms contributing to retention the effective retention parameters can no longer be interpreted by simple partition models. The broadly based and practically focused material in this article affords an illustration of the often complicated relationship between system properties and retention, and the dangers that lurk in simplified retention models if the validity of their underlining approximations is not appropriate for the system under study.     

Segmentation and additive approach: A reliable technique to study noncovalent interactions of large molecules at the surface of single‐wall carbon nanotubes

This investigation explores a new protocol, named Segmentation and Additive approach (SAA), to study exohedral noncovalent functionalization of single‐walled carbon nanotubes with large molecules, such as polymers and biomolecules, by segmenting the entire system into smaller units to reduce computational cost. A key criterion of the segmentation process is the preservation of the molecular structure responsible for stabilization of the entire system in smaller segments. Noncovalent interaction of linoleic acid (LA, C₁₈H₃₂O₂), a fatty acid, at the surface of a (10,0) zigzag nanotube is considered for test purposes. Three smaller segmented models have been created from the full (10,0)‐LA system and interaction energies were calculated for these models and compared with the full system at different levels of theory, namely ωB97XD, LDA. The success of this SAA is confirmed as the sum of the interaction energies is in very good agreement with the total interaction energy. Besides reducing computational cost, another merit of SAA is an estimation of the contributions from different sections of the large system to the total interaction energy which can be studied in‐depth using a higher level of theory to estimate several properties of each segment. On the negative side, bulk properties, such as HOMO‐LUMO (highest occupied molecular orbital ‐ lowest occupied molecular orbital) gap, of the entire system cannot be estimated by adding results from segment models. © 2016 Wiley Periodicals, Inc.     

Three dimensional transport lattice model for describing action potentials in axons stimulated by external electrodes

Conditions that stimulate action potentials in one or more nerves is of widespread interest. Axon and nerve models are usually based on two dimensional pre-specified lumped equivalents that assume where currents will flow. In contrast, here we illustrate creation of three dimensional (3D) system models with a transport lattice of interconnected local models for external and internal electrolyte and axon membrane. The transport lattice solves Laplace's equation in the extracellular medium and is coupled to the Hodgkin-Huxley model at local membrane sites. These space-filling models incorporate the geometric scale, which allows explicit representation of confined axons and external electrodes. The present results demonstrate feasibility of the basic approach. These models are spatially coarse and approximate, but can be straightforwardly improved. The transport lattice system models are modular and multiscale (spatial scales ranging from the membrane thickness of 5 nm to the axon segment length of 2 cm).     

Validation of Markov state models using Shannon's entropy

Markov state models are kinetic models built from the dynamics of molecular simulation trajectories by grouping similar configurations into states and examining the transition probabilities between states. Here we present a procedure for validating the underlying Markov assumption in Markov state models based on information theory using Shannon's entropy. This entropy method is applied to a simple system and is compared with the previous eigenvalue method. The entropy method also provides a way to identify states that are least Markovian, which can then be divided into finer states to improve the model.     

Models to estimate viscosities of ternary metallic melts and their comparisons

Viscosity is an important property that influences industrial processes relevant to fluid. The transferring rate of impurities, such as S, P and N, is affected with the viscosity of metallic melts. The interfacial reactions and impurity removal depend on the viscosity of both slag and metallic melt. Viscosity of gas and liquid are all affecting the transferring process and velocity. However, the amount of viscosity data is far from satisfactory for the needs of today抯 technology, especially…     

Comparative analysis of the activity coefficients for the system NaBr+NaFormate+H2O at 25°C by the methods of scatchard,pitzer and lim

Activity coefficients for NaBr in the system NaBr+NaFormate+H₂O at 25°C were determined from emf measurements at different total ionic strengths. At each total ionic strength, the measurements were carried out at different Na-Formate/NaBr ionic strength ratios. The experimental activity coefficients were comparatively analyzed using Scatchard's, Pitzer's and Lim's methods. Although all these models can be successfully applied to the analysis of this mixed system, the All Mixing Coefficients (LA) and Consistency Test (LT) models lead to better fittings than the others.     

On calculations of activities of chemical individuals from disorder models

Assuming the validity of the law of mass action for particles, the relationships for the calculation of the activities of chemical individuals from the concentration of particles in a homogeneous system, are derived using the transformation of baricentric coordinates. These relationships can be applied to general disorder models, and they can serve for the selection of the correct and optimum methods for the comparison between disorder models and experimental data. Possible methods of application to binary and ternary systems are discussed.