计算机水化学模型在地下水环境评价中的应用

介绍了基于平衡常数法的水溶液平衡组分分布的计算原理及其数学模型。在此基础上 ,以韩城电厂周原灰场区潜水环境为背景 ,对计算机水化学模型在地下水环境评价中的应用进行了探讨。与传统的水化学方法相比 ,该方法可以获得更多的信息 。

基于水化学特征分析的崔木煤矿水源研究

利用piper三线图对崔木煤矿开采主要充水含水层侏罗系延安-直罗组含水层及白垩系洛河组含水层水化学特征进行分析,建立各含水层的水化学模型,将采空区水样及突水点水样与之进行对比分析,判断出煤矿突水水源。

水文地球化学模拟研究的现状

水文地球化学模拟是研究地质生态、地下水污染的一种新的方法，是多学科综合研究的产物。通过各种不同的水文地球化学模型，可以定量模拟各种自然过程和人类活动影响下水一岩相互作用及地下水中污染质的运移过程，预测地下水污染的发生、发展趋势，指导对地下水的监测、保护及合理开采，是地下水管理中不可缺少的一部分。综述了有关水文地球化学模拟研究的现状，对水溶液组分平衡的地球化学模型、地下水溶质运移模型、耦合水化学模型的应用及其存在的问题进行了讨论，并指出了其发展趋势。

基于人工智能技术的矿井水害来源识别模型库的建立方法研究

为了建立合理的矿井水害识别模型库,以便提高水害来源识别的准确率,提出了建立水害识别模型库(水的水化学模型)的原则和方法技术。这个原则是各类水害来源模型内部的类内离散度尽可能小,使其具有代表性;各个模型之间的类间离散度尽可能大,以便清楚的区分各个水害来源的总原则。给出了描述这个原则的数学公式以及实现上述原则的方法技术。在山西潞安环保能源开发股份有限公司的多个煤矿进行了生产性验证。生产实践证明提出的原则和方法技术是可行的、识别矿井水的来源(判定水的类型)的准确率可达到95%。

Water quality changing trends of the Miyun Reservoir

In order to simulate changes in the water quality of the Miyun Reservoir dueto continuous descent of surface water level, a 3-D ecological hydrodynamic model was developedthrough coupling the water quality analysis simulation program (WASP) with the environmental fluiddynamics code (EFDC). The model was then calibrated and verified. Four scenarios (S1, S21, S22 andS23) were simulated using the model. Results show that the water quality of the Miyun Reservoirunder conditions of low surface water level is apparently affected by different amounts of inflowand different total phosphorus (TP) loadings. The chlorophyll-a concentration might exceed 10 μg/Lin many areas of the Miyun Reservoir (This limitative value is seen as a critical value ofeutrophication) when large loadings of TP enter due to the amount of inflow increasing. Results ofscenario S23 indicate that control of TP loadings can decrease chlorophyll-a concentrationeffectively, and the water quality of the Miyun Reservoir will improve or retain its status quo.

Optimization of the Hydrological Model Using Multi-objective Particle Swarm Optimization Algorithm

An application of multi-objective particle swarm optimization （MOPSO） algorithm for optimization of the hydrological model （HYMOD） is presented in this paper. MOPSO algorithm is used to find non-dominated solutions with two objectives： high flow Nash-Sutcliffe efficiency and low flow Nash- Sutcliffe efficiency. The two sets＇ coverage rate and Pareto front spacing metric are two criterions to analyze the performance of the algorithms. MOPSO algorithm surpasses multi-objective shuffled complex evolution metcopolis （MOSCEM_UA） algorithr~, in terms of the two sets＇ coverage rate. But when we come to Pareto front spacing rate, the non-dominated solutions of MOSCEM_ UA algorithm are better-distributed than that of MOPSO algorithm when the iteration is set to 40 000. In addition, there are obvious conflicts between the two objectives. But a compromise solution can be acquired by adopting the MOPSO algorithm.

Role of Black Carbon-Induced Changes in Snow Albedo in Predictions of Temperature and Precipitation during a Snowstorm

In this study the authors apply the chemistry version of the Weather Research and Forecasting model （WRF-Chem） to examine the impacts of black carbon （BC）-induced changes in snow albedo on simulated temperature and precipitation during the severe snowstorm that occurred in southern China during 0800 26 January to 0800 29 January 2008 （Note that all times are local time except when otherwise stated）. Black carbon aerosol was simulated online within the WRF-Chem. The model resuits showed that surface-albedo, averaged over 27-28 January, can be reduced by up to 10% by the deposition of BC. As a result, relative to a simulation that does not consider deposition of BC on snow/ice, the authors predicted surface air temperatures during 27-28 January can differ by -1.95 to 2.70 K, and the authors predicted accumulated precipitation over 27-28 January can differ by -2.91 to 3.10 mm over Areas A and B with large BC deposition. Different signs of changes are determined by the feedback of clouds and by the availability of water vapor in the atmosphere.

A damage constitutive model of rock-like materials containing a single crack under the action of chemical corrosion and uniaxial compression

To describe the deformation and strength characteristics of the corroded rock-like specimens containing a single crack under uniaxial compression,a damage constitutive model combining hydro-chemical damage with coupling damage of micro-flaws and macro-cracks is proposed.Firstly,based on phenomenological theory,the damage variable of the rock-like specimens subjected to water environment erosion and chemical corrosion is obtained.Secondly,a coupled damage variable for cracked rock-like specimens is derived based on the Lemaitre strain equivalence hypothesis,which combines the Weibull statistical damage model for micro-flaws and the fracture mechanics model for a macro single crack.Then,considering the residual strength characteristics of the rock-like materials,the damage variable is modified by introducing the correction coefficient,and the damage constitutive model of the corroded rock-like specimens with a single crack under uniaxial compression is established.The model is verified by comparing the experimental stress−strain curves,and the results are in good agreement with those provided in the literature.Finally,the correction coefficient of the damage variable proposed in this paper is discussed.The damage constitutive model developed in this paper provides an effective method to describe the stress−strain relationship and residual strength characteristics of the corroded rock-like specimens with a single crack under uniaxial compression.

Tupu methods of spatial-temporal pattern on land use change:a case study in the Yellow River Delta

Comprehensive study on land-use change of spatial pattern and temporal process is the key component in LUCC study nowadays. Based on the theories and methods of Geo-information Tupu (Carto-methodology in Geo-information, CMGI), integration of spatial pattern and temporal processes of land-use change in the Yellow River Delta (YRD) are studied in the paper, which is supported by ERDAS and ARC/INFO software. The main contents include: (1) concept models of Tupu by spatial-temporal integration on land-use change, whose Tupu unit is synthesized by "Spatial·Attribute·Process" features and composed of relatively homogeneous geographical unit and temporal unit; (2) data sources and handling process, where four stages of spatial features in 1956, 1984, 1991, and 1996 are acquired; (3) integration of series of temporal-spatial Tupu, reconstruction series of "Arising" Tupu, spatial-temporal Process Tupu and the spatial temporal Pattern Tupu on land-use change by remap tables; (4) Pattern Tupu analysis on land-use change in YRD during 1956-1996; and (5) spatial difference of the Pattern Tupu analysis by dynamic Tupu units. The various landform units and seven sub-deltas generated by the Yellow River since 1855 are different. The Tupu analysis on land-use in the paper is a promising try on the comprehensive research of "spatial pattern of dynamic process" and "temporal process of spatial pattern" in LUCC research. The Tupu methodology would be a powerful and efficient tool on integrated studies of spatial pattern and temporal process in Geo-science.

Modeling transportation of suspended solids in Zhujiang River estuary, South China

A three-dimensional transportation model for suspended solids (SS) in Zhujiang (Pearl) River estuary, South China, was developed by coupling with a three-dimensional hydrodynamic model. The model was validated using hourly measured data of sediment contents during 25–26, July 1999. The results showed that modeled contents matched well with measured ones and that the modeled top layer distribution agreed with the remotely sensed image of suspended solids in summer. The modeled results showed clearly the layers of sus- pended solids in depth, with larger sediment contents in lower layers though in the interface between salt water and freshwater the lowest contents appeared in middle layer. In overall, the suspended solids inflow from 8 rivers, transport southwestward, and carried by strong coastal flow in Zhujiang River estuary. Contours of sediment contents in the estuary spread further to the open sea during ebb tide rather than flood tide which reflects that the suspended solids in the estuary are land sourced.

Study on the Mathematical Model of Hydraulic Jump Atomization

An equation of atomization quantity from energy dissipation by hydraulic jump was derived from the dimensional analysis. By applying Gauss diffusion equation, the spray diffusion rule in valley was studied under the condition of continuous linear source and random wind direction.By considering the spray rain switching process, coagulation, condensation and evaporation of droplets, the air temperature, air relative humidity, spray density and the rainfall intensity in the lower reaches of the linear source were calculated. The 3 D numerical simulation fitted well with prototype monitoring. Finally, the prediction of atomization influence on environments for Xiangjiaba Hydropower Station was conducted.

Study on Hydrolysis of Methyl Acetate in a Catalytic Distillation Column

A nonequilibrium stage model was used to simulate countercurrent multicomponent catalytic distillation processes for methyl acetate hydrolysis. Computations of stage efficiencies or height equivalent to a theoretical plate (HETP) were entirely avoided by this model. The consistency of simulated results and experimental data in conversions and concentration of each component along a column indicates that the model predicts the actual process well. The influences of operating parameters on hydrolytic conversions, such as feed molar ratios, feed locations, feed and reflux rates, heights of reactive and stripping sections, were analyzed adequately by simulating calculations. A good operating mode was then obtained, which is helpful to the development of a new process.

Implication of Geochemical Simulation for CO2 Storage Using Data of York Reservoir

In this paper, we build up a three-dimensional model for CO2 storage in the deep reservoir. And this paper gives the mathematical formalism of combined geochemical and multi-phase flow. The results give us the information about geochemical changing caused by CO2 injection into aqueous, the dissolution or precipitation of reservoir minerals caused by aqueous components change, the change of water density, also the differences between this model and the simulation model without considering geochemical. The basic data for simulation is from York Reservoir.

Investigation of Calcium Sulfide Regeneration with Steam

Harmless treatment of CaS from coal gas desusulfurization and other industries is of very importance for the environmental protection. In this paper, the experimental investigation of calcium sulfide regeneration with steam at atmospheric pressure was carded out using TGA, fixed bed reactor and SEM-EDX analysis. The results show that the reaction mechanism of CaS with steam varies with temperature. The reaction occurs obviously at the temperature above 630℃ and the dominant products include CaSO4 （or CaSO3） and H2S, as the temperature is over 850℃, the primary products become CaO, SO2 and H2S. The CaS regeneration reaction will strongly depend on the temperature and the data over 900℃ can be fitted by the Shrinking-Core Model （SCM）.

A niche model to predict Microcystis bloom decline in Chaohu Lake, China

Cyanobacterial blooms occur frequently in lakes due to eutrophication. Although a number of models have been proposed to forecast algal blooms, a good and applicable method is still lacking. This study explored a simple and effective mathematical-ecological model to evaluate the growth status and predict the population dynamics of Microcystis blooms. In this study, phytoplankton were collected and identified from 8 sampling sites in Chaohu Lake every month from July to October, 2010. The niche breadth and niche overlap of common species were calculated using standard equations, and the potential relative growth rates of Microcystis were calculated as a weighted-value of niche overlap. In July, the potential relative growth rate was 2.79 (a.u., arbitrary units) but then rapidly declined in the following months to -3.99 a.u. in September. A significant correlation (R=0.998, P<0.01) was found in the model between the net-increase in biomass of Microcystis in the field and the predicted values calculated by the niche model, we concluded that the niche model is suitable for forecasting the dynamics of Microcystis blooms. Redundancy analysis indicated that decreases in water temperature, dissolved oxygen and total dissolved phosphorus might be major factors underlying bloom decline. Based on the theory of community succession being caused by resource competition, the growth and decline of blooms can be predicted from a community structure. This may provide a basis for early warning and control of algal blooms.

Numerical Study of Viscous Wave-Making Resistance of Ship Navigation in Still Water

The prediction of a ship＇s resistance especially the viscous wave-making resistance is an important issue in CFD applications. In this paper, the resistances of six ships from hull 1 to hull 6 with different hull forms advancing in still water are numerically studied using the solver naoe-FOAM-SJTU, which was developed based on the open source code package OpenFOAM. Different components of the resistances are computed and compared while considering two speed conditions （12 kn and 16 kn）. The resistance of hull 3 is the smallest while that of hull 5 is the largest at the same speed. The results show hull 3 is a good reference for the design of similar ships, which can provide some valuable guidelines for hull form optimization.

Adsorption and Desorption Behavior of Tannic Acid in Aqueous Solution on Polyaniline Adsorbent

Tannic acid is generally considered as one of polyphenolic pollutants, which may cause severe threats to the environment. In this study, polyaniline adsorbent was synthesized by chemical oxidation to remove tannic acid in aqueous solutions. The adsorption amount of tannic acid varied greatly with pH of solution and strong adsorption was at pH 5.8-6.7. Coexisting cations, such as Na＋, K＋, and Ca2＋, can enhance the adsorption of tannic acid on poly- aniline, which may be contributed to the electrostatic interaction between tannic acid and polyaniline. The adsorp- tion process could be well described by Langmuir model and the maximum adsorption capacity was 117.65 rag.g〈 at 35℃and pH 6.0. The thermodynamic parameters calculated from the adsorption isotherms indicate that the ad- sorption of tannic acid is spontaneous and endothermic process. The polyaniline saturated with tannic acid can be desorbed in alkaline solution and regenerated adsorbent can be used repeatedly with high adsorption capacity, which implies that polyaniline adsorbents have a great potential in water purification for the removal of tannic acid.

A novel hybrid estimation of distribution algorithm for solving hybrid flowshop scheduling problem with unrelated parallel machine

The hybrid flow shop scheduling problem with unrelated parallel machine is a typical NP-hard combinatorial optimization problem, and it exists widely in chemical, manufacturing and pharmaceutical industry. In this work, a novel mathematic model for the hybrid flow shop scheduling problem with unrelated parallel machine(HFSPUPM) was proposed. Additionally, an effective hybrid estimation of distribution algorithm was proposed to solve the HFSPUPM, taking advantage of the features in the mathematic model. In the optimization algorithm, a new individual representation method was adopted. The(EDA) structure was used for global search while the teaching learning based optimization(TLBO) strategy was used for local search. Based on the structure of the HFSPUPM, this work presents a series of discrete operations. Simulation results show the effectiveness of the proposed hybrid algorithm compared with other algorithms.

Simulation for Water Quality Management in Inohana Lake Estuary, Japan

The Inohana Lake is a branch lake of the Hamana Lake. The Inohana Lake is an estuary rather than a brackish lake, and has suffered environmental problems such as eutrophication and bottom hypoxic water. In this study, the coupled hydrodynamic and ecological models （eco-hydrodynamic model） were used to construct the strategy for preventing the bottom hypoxic water and improving or recovering the water quality in the lake. Using the model input obtained from the summertime data over 1998-2002, the summer-average flow field and oxygen concentration and budget of the standard run were calculated. Remedial measures used in this study are divided into two parts： the biogeochemical and physical changes in the present situation. For the remedial measures including the biogeochemical changes in the present situation, the simulations considering the reductions of the nutrient inputs from the river, main lake （land） and bottom sediment, and the sediment oxygen demand （SOD） were carried out. For the remedial measures including the physical changes, the 50 and 100 m extensions of the inlet width were considered in the model runs. These simulated results were compared in terms of changes in the dissolved oxygen （DO） concentration and oxygen budget in the bottom layer in the Inohana Lake. There was no significant change in the DO concentration and oxygen stock in the simulations for the reduction of the nutrient inputs from the land and bottom sediment, however increases in those in the simulations for the reduction of SOD. When SOD was reduced by 50%, the bottom DO concentration increased by approximately 2 mg/L and the oxygen stock in the bottom layer increased by 47% comparing the present situation （the standard run） of the lake. The simulation results for inlet width extension showed that the extension of width makes the DO concentration and oxygen stock lower. The remedial measures for the sediment control were proposed to prevent the bottom hypoxia and manage the water quality.

Three-dimensional numerical modelling of water quality in Dahuofang Reservoir in China

A three-dimensional eutrophication model was applied to assist the management of Dahuofang Reservoir in China.Transport processes were obtained from the three-dimensional,finite volume hydrodynamic model.The hydrodynamic model was verified for a one-year time period in 2006.Our simulation reproduced intra-annual variation of stratification.The simulated variation of vertical thermal structures also matched observations.The water quality model included 8 state variables,including dissolved oxygen,phytoplankton as carbon,carbonaceous biochemical oxygen demand,ammonium nitrogen,nitrate and nitrite nitrogen,ortho-phosphorus,organic nitrogen,and organic phosphorus.Sensitivity of the parameters has been analyzed to decide which process would affect the water quality in the simulation.The water quality verification suggested the model successfully computed the temporal cycles and spatial distributions of key water quality components.The comparison between water quality components before and after the first phase of the water conveyance project suggests that the project has a slight effect on the reservoir ecosystem.The model could be used as a tool to guide physico-biological engineering design or management strategies for Dahuofang Reservoir.