LiBr溶液从低浓度到高浓度的分子动力学模拟

在 L i Br与水的物质量比分别为 1∶ 64、1∶ 32、1∶ 16、1∶ 8、1∶ 4和 1∶ 3的情况下 ,对 L i Br溶液从低温到高温的分子动力学模拟进行了研究。随浓度增加 ,锂离子的水合数量呈减少趋势但同时又从 L i+- Br-接触离子对的数量增加中得到补偿 ,而 L i离子的第一配位壳层的配位数量保持不变。在高浓度 Li Br溶液中 ,Br- O之间的距离有所增加 ,Br-- O的径向分布的形状更趋于非对称 ,从而很好地确定了 Br离子水合壳层 L i+- Br-接触离子对可以在更稀的溶液中产生 ,但随浓度增加而增加。L i+- Br-距离明显短于溶液中 Li离子与 Br离子的离子半径之和 ,也短于 L i Br晶体中两者离子半径之和。高浓度溶液中水分子的结构几乎被破坏 ,水分子间的氢键明显增加 ,但没有消失。对 L i+、Br-和水的扩数系数计算值与实验值进行了比较     

具有弱透水层的多层介质含水系统中污染质运移数值模拟研究——以大庆市纳污湖泡区为例

选取大庆市贴不贴泡区具有普遍意义的饱和-非饱和多层介质含水系统中石油类污染为研究对象.在分析水文地质条件的基础上, 利用实验研究获得含水系统中连接上下含水层的弱透水层的渗透规律, 然后运用数值模拟技术建立起此类含水系统中石油类污染质运移数值模拟模型.应用所建模型对污染质的污染趋势进行了预测, 并提出污染控制措施.      

扇形沉积体生长的分形几何特征分析

扇形沉积体是我国内陆及沿海地区中、新生代含油气盆地中的重要油气勘探目标,对其平面分布形态和内部结构参数特征的定量表征是油气勘探部门极为关注的问题。随着分形几何理论在沉积学领域应用的日趋广泛,使人们可从新的角度来考虑这一问题的解决方法。扇形沉积体的生长是一个复杂的非线性动力学过程,且具有分形特征。分维数的大小反映了沉积体外部形态和内部结构的复杂程度,分维数的变化幅度预示着构造和沉积背景的某些信息。将分形和混沌理论相结合,也许是实施扇形沉积体非线性动力学建模和模拟的重要途经之一。     

Nitrogen emissions into freshwater ecosystems: is there a need for nitrate elimination in all wastewater treatment plants?

Excessive inputs of phosphorus and nitrogen are the main reasons of eutrophication of inland waters and coastal areas. Large efforts have been made to control phosphorus, but the measures to reduce nitrogen emissions failed at least partly. While it was possible to reduce nitrogen emissions from industry and municipal wastewater treatment plants, diffuse sources are showing only very minor decline. Examples of limnetic, marine and coastal systems are given to review the current knowledge about nitrogen transformation and the effects of nitrate in the environment. When N is the limiting nutrient in a particular water body, this does not necessarily mean that phytoplankton is controllable by NO₃^– removal. In systems with problems due to a high redox‐sensitive internal phosphorus load and under certain constraints, nitrate may be used as an ecotechnological measure to prevent anaerobic phosphorus release from sediments. Model simulations are used to demonstrate this. A schematic model of redox‐mediated temporal phosphorus storage in riverine lake sediments with short retention time is proposed. We conclude that while anthropogenic nitrogen emissions are a global problem, no fast and simple single solution exists. Additional nitrogen removal in wastewater treatment will have no effect, as long as diffuse sources and nitrate concentrations in groundwater remain at a high level. Emission reductions should be achieved in an integrated way, taking direct and indirect effects into account. In this sense, case by case decisions and a new definition of “sensitive areas” are required.     

黔东南锦屏-天柱地区构造控岩控金特征模拟实验及其力学分析

在前人工作基础上,侧重研究石英脉型金矿床成矿的地质背景,建立了该类型金矿的成矿模式。进而开展三轴温压条件下的成岩成矿实验,构造形变特征及其与成矿物质活化、迁移、富集之间的相互关系的模拟实验。实验结果表明:(1)该区岩石、矿石在高温高压条件下,产生塑性变形(褶皱)和脆性变形(破裂);(2)在变形过程中使成矿物质活化、迁移和富集,形成顺层及穿层的含金石英脉,并在多期多次变形过程中使成矿物质叠加富集;(3)在褶皱(背斜)轴部形成富矿体。模拟实验结果与所建立的该类型金矿构造控矿和成矿模式非常相似。实验资料的力学分析表明,由轴压所产生的构造附加压力大大地提高了实际围压,从而促进了岩石流变、变形和物质的迁移,由此促进含矿流体向构造附加压力小的部位定向迁移、充填和成矿。构造附加压力是促进该区金成矿的重要动力条件。     

裂隙岩质边坡地下水渗流数值模拟

本文从反倾向岩质高边坡的渗流特征和渗流普遍规律出发,根据渗流力学知识,建立数学模型,通过渗流数值模拟计算分析了渗透压力、水头变化规律以及对岩质边坡稳定性的影响.     

辐射井在强透水弱调节含水层地下水开采中的应用

本文通过在强透水弱调节含水层研究区建立了地下水流数模型、并在研究区域进行数值模拟计算的基础上,分析了不同取水构筑物的取水效果.得出了强透水弱调节含水层地下水采用辐射井开采的优越性和辐射井的设计参数,总结出辐射井是开采强透水弱调节含水层较为合理的取水构筑物.     

基于遗传模拟退火算法的神经网络模型在陕西省需水预测中的应用

神经网络模型是近年来在需水预测方面应用较为广泛的一种方法,在陕西省的需水预测中根据实际情况采用遗传模拟退火算法对其进行优化,预测的结果和其他预测方法进行对比,证明该方法预测的结果较为合理,能够在类似的预测中加以推广应用.     

Preliminary study on assessment of nutrient transport in the Taihu Basin based on SWAT modeling

With the Taihu Basin as a study area, using the spatially distributed and mechanism-based SWAT model, preliminary simulations of nutrient transport in the Taihu Basin during the period of 1995-2002 has been carried out. The topography, soil, meteorology and land use with industrial point pollution discharge, the loss of agricultural fertilizers, urban sewerage, and livestock drainages were all considered in the boundary conditions of the simulations. The model was calibrated and validated against water quality monitoring data from 2001 to 2002. The results show that the annual total productions of nitrogen (TN) and phosphorus (TP) into Lake Taihu are 40000t and 2000t respectively. Nutrient from the Huxi Region is a major resource for Lake Taihu. The non-point source (surface source) pollution is the main form of catchment sources of nutrients into Lake Taihu, occupied TN 53% and TP 56% respectively. TN and TP nutrients from industrial point pollution discharge are 30% and 16%, and sewerage in both forms of point source and non-point source are TN 31 % and TP 47%. Both the loss of agricultural fertilizers and livestock drainages from the catchment should be paid more attention as an important nutrient source. The results also show that SWAT is an effective model for the simulation of temporally and spatially nutrient changes and for the assessment of the trends in a catchment scale.