QSPR prediction of chromatographic retention times of pesticides: Partition and fractal indices

The high‐performance liquid‐chromatographic retentions of red‐wine pesticide residues are modeled by structure–property relationships. The effect of different types of features is analyzed: geometric, lipophilic, etc. The properties are fractal dimensions, partition coefficient, etc., in linear and nonlinear correlation models. Biological plastic evolution is an evolutionary perspective conjugating the effect of acquired characters and relations that emerge among the principles of evolutionary indeterminacy, morphological determination and natural selection. It is applied to design the co‐ordination index that is used to characterize pesticide retentions. The parameters used to calculate the co‐ordination index are the molar formation enthalpy, molecular weight and surface area. The morphological and co‐ordination indices barely improve the correlations. The fractal dimension averaged for non?buried atoms, partition coefficient, etc. distinguishes the pesticide molecular structures. The structural and constituent classification is based on nonplanarity, and the number of cycles, and O, S, N and Cl atoms. Different behavior depends on the number of cycles.     

河北省祖山风景区崩塌灾害特征与防治对策研究

以祖山为例,阐述了崩塌地质灾害的机理、特征和现状,并利用传递系数法对崩塌稳定性进行了计算和评价,采用削方卸载、修建抗崩塌挡土墙、构筑排水沟与格构等工程设施的防治对策及工程措施,取得了预期的效果。     

铁路运输传爆药安全性评价

通过对现有传爆药安全性综合评价方法和装载加固评价方法进行改进,建立导弹铁路运输安全评价模型,运用改进型安全评价方法计算出导弹运输实际现实危险度。通过重大事故后果模拟法对运输过程中存在的最大量危险源进行分析、模拟,得出发生事故后产生的对人、物的危害范围。运用装载加固安全评价方法对装载加固方案进行评价,从而得知铁路运输导弹的危险综合程度,该评价模型可为铁路运输部门危险货物运输安全评价提供参考。     

循环流化床锅炉掺烧高炉煤气的应用

介绍了高炉煤气的主要燃烧特性，分析了高炉煤气在循环流化床锅炉中掺烧时对炉膛换热、过热蒸汽温度、锅炉负荷、热效率、分离装置以及环境的影响，并提出了消除不良影响的相应措施。     

The effects of scale and spatial heterogeneities on diffusion in volcanic breccias and basalts: Amchitka Island, Alaska

Knowledge of the factors that influence the diffusion of contaminants, such as the diffusivity and the connected porosity, is crucial to modeling the long-term fate and transport of contaminants in subsurface systems with small or negligible advective flow, such as in fractured crystalline rock. Fractured rock is naturally heterogeneous, and hence, understanding the diffusivity of a molecule through this material (or the formation factor of the medium) becomes a complex problem, with critical concerns about the scale of laboratory measurements and about the spatial variability of these measurements relative to the scale needed for fate and transport modeling. This study employed both electrical and tracer-based laboratory methods to investigate the effects of scale and pore system connectivity on the diffusivity for volcanic matrix rock derived from the study site, a former underground nuclear test site at Amchitka Island, Alaska. The results of these investigations indicate a relatively well-connected pore system with scale effects generally limited to approximately 6 cm lengths and well-correlated to observed heterogeneous features. An important conclusion resulting from this study, however, is that there is a potential for the estimated diffusivity to be misrepresented by an order of magnitude if multiple samples or longer sample lengths are not used. Given the relatively large number of measurements resulting from these investigations, an analysis of the probability density function (PDF) of the diffusivity was possible. The PDF of the diffusivity was shown to generally follow a normal distribution for individual geologic layers. However, when all of the geologic layers are considered together, the distribution of the subsurface as a whole was shown to follow a lognormal distribution due to the order of magnitude differences amongst the layers. An understanding of these distributions is essential for future stochastic modeling efforts.     

Effect of density-driven flow on the through-diffusion experiment

Diffusion is one of the main mechanisms of solute transport in pore water of geologic media. The effective diffusion coefficient of a solute in a rock is usually measured by the through-diffusion experiment. However, in this experiment, the effect of advection, induced by density difference between dense aqueous solution and pure water, has not been considered. To evaluate the effect of density-driven flow, a through-diffusion experiment using Fontainebleau sandstone was conducted for KCl and KI aqueous solutions with various densities. The measured effective diffusion coefficients were positively correlated with the density difference; the effective diffusion coefficient of a 1 M KI solution (density difference, 0.119 g/cm³) was one order of magnitude larger than that of a 0.1 M KCl solution (density difference, 0.005 g/cm³). The result is explained by a theoretical model using a diffusion–advection equation including Darcy's law. Based on the theory, a diagram to evaluate the condition at which the measured effective diffusion coefficient does not include the effect of advection is presented.     

Octanol–air partition coefficients of polybrominated biphenyls

The octanol–air partition coefficients (K_OA) for PBB15, PBB26, PBB31, PBB49, PBB103 and PBB153 were determined as a function of temperature using a gas chromatographic retention time technique with 1,1,1-trichloro-2,2-bis (4-chlorophenyl) ethane (p,p′-DDT) as a reference substance. The internal energies of phase change from octanol to air (Δ_OAU) were calculated for the six compounds and were in the range from 74 to 116 kJ mol⁻¹. Simple regression equations of log K_OA versus relative retention times (RRTs) on gas chromatography (GC), and log K_OA versus molecular connectivity indexes (MCI) were obtained, for which the correlation coefficients (r²) were greater than 0.985 at 283.15 K and 298.15 K. Thus the K_OA values of the remaining PBBs can be predicted by using their RRTs and MCI according to these relationships.     

构建湘江流域生态补偿机制的探讨

本文以湘江水质和水文数据为基础,首次结合各地市社会经济发展情况,引入补偿标准系数,以湘江流域所在区域为例进行生态补偿资金测算,提出湘江流域生态补偿机制构建初步设想和存在的主要问题,以期为湘江流域水资源保护提供指导,最终实现湘江流域区域共赢。     

基于变异系数法的安徽省节能减排评价研究

以行政区域为单位进行节能减排评价研究,分析其中的影响因素,便于因地制宜地采取措施开展节能减排工作。本文以安徽省为研究对象,运用变异系数法对节能减排作评价研究。研究表明,节能减排总体成效显著,但减排问题突出,其中污染物排放与产业结构存在密切关系,进一步的关联分析得出影响减排的主要行业因素。据此,提出从调整产业结构、加强科技创新、完善法规政策方面推进节能减排。     

等离子体固态可燃物液化反应动力学分析

本文利用介质阻挡放电等离子体技术,对以煤和生物质为代表的固态可燃物液化反应机理进行研究,以期探索能源利用新途径.借助碰撞理论和Boltzman方程,对高能电子碰撞引发多种离解反应的速率常数进行数值模拟,计算结果和实验曲线对比,证明模型具有一定的适用性和可靠性.在一定的电子温度下,通过不同离解反应速率常数的对比,可以判断...