沉积物中重金属铜的解吸动力学模拟

采用DIFS模型模拟了DGT在沉积物中放置过程中,吸附态铜从固相解吸的动力学过程。结果表明,对于模拟的三个样品,R值均小于1,均属于部分补给情况(固相的补给不能使DGT界面处孔隙水浓度维持在初始水平)。对于R值为0.74的M1样品,Kd值较高,解吸速率常数k-1较大,在DGT放置时间T内,吸附态铜可以迅速解吸并补给DGT的消耗,DGT界面处孔隙水Cu浓度基本维持在一个稳定的值,但低于初始浓度,吸附态铜的消耗范围较小(<0.15 cm);对于M2和M3样品,R值、Kd和k-1均小于M1,固相的补给很小,DGT界面处孔隙水浓度随着放置时间的增加而降低,且吸附态铜的消耗范围也较大。由模拟结果可知,沉积物中重金属释放动力学过程受到生物有效态铜的容量和解吸动力学参数共同影响。对于稳定状态部分补给的情况(M1样品),典型特征是较高的Kd和适中的k-1;而对于非稳定态部分补给的情况(M2和M3样品),典型特征是较低的Kd值和适中或者较高的k-1。     

Modeling of hydrogenation kinetics from triglyceride compositional data

A mathematical model was developed to describe the reduction of soybean oil triglycerides during hydrogenation. The model was derived from reaction and transport mechanisms and formulated into a system of first-order irreversible rate expressions that included terms for temperature, hydrogen pressure, and catalyst concentration. The model parameters were estimated from experimental data, and the model was used to simulate the results of hydrogenation performed over the pressure range of 0.069-6.9 MPa. The model could be extended to include geometrical isomers formed during hydrogenation.     

Modeling the transport of acidity in soil profiles with front — A dynamic transport model

A dynamic transport model, FRONT, that describes the downwards transport of acidity in podzolized forest soils is presented. In this model the downward transport of acidity with the soil solution is counteracted by a production of alkalinity through the weathering of primary minerals and delayed by the adsorption of sulfate and hydrogen ions on iron- and aluminium oxides. The heart of the model is a massbalance equation that describes the transport of bulk acidity/alkalinity. The FRONT model was tested on 23 deep soil profiles situated along three transects in west-to-east direction across Sweden. Using a deposition scenario starting at 1910 the model was able to account for the large regional differences in the present depth of the acid front. Assuming a linearly decreasing deposition until 30% of present deposition is reached in 2010 the model was used to simulate a scenario for profiles in different parts of Sweden. The scenarios indicated that the upper parts of soil profiles that are severely acidified today will recover and assume a new steady-state in 2030. However, for soil profiles that have large stores of adsorbed sulfate in the B horizon the simulations indicate that one can expect an increased acidity in the deep soil layers several decades after the deposition has ceased due to downward transport of acidity.     

Quantitatively tracing bacterial transport in saturated soil systems

Three isolates of Escherichia coli were labeled by their resistance to sodium azide and, separately, to novobiocin, nalidixic acid, and tetracycline. The strains exhibited a high degree of persistence in the soil environment and were recoverable on strain specific media at levels within the 95% confidence interval of the numbers covered on nonselective media. The E. coli strains were subsequently used to evaluate the events which would occur when a septic tank drainfield became submerged in a perched water table and effluentborne bacteria escaped into the groundwater. Field experiments were conducted by introducing the strains into horizontal lines installed into the A, B, and C horizons of a soil profile and transport was evaluated by collecting groundwater samples from 5 rows of piezometers (sampling six separate depth zones/row) located downslope from the injection lines. The major portion of subsurface transport of the bacterial populations occurred in specific zones in the soil profile and at an apparent maximum velocity of 17.0 cm min^?1. The maximum bacterial density in the groundwater, observed at each sampling distance downslope, was used to produce a mathematical relationship which described the overall decrease in numbers of organisms with increased distance through the soil. The potential health hazards which could occur by the subsurface transport of fecal organisms in relation to these experiments are discussed.     

Modeling studies on sulfur deposition and transport in East Asia

A three dimensional regional Eulerian model of sulfur deposition and tranport has been developed. It includes emission, transport, diffusion, gas-phase and aqeous-phase chemical process, dry depostion, rainout and washout process. A looking up table method is provided to deal with the gas-phase chemical process including sulfur transfer. Calculated values have reasonable agreement with observations. Distribution of sulfur deposition and transport in East Asia are also analyzed in the paper. Simulation shows that sulfate (SO ₄ ^2– ) is the main substance to transport in long range transport. Some amount of sulfur emission of different countries transport across boundaries, but the main origin of sulfur deposition in each country in East Asia is from herself. Furthermore, some transport paths on different layers and outlet or inlet zones are found.     

设施菜地土壤氮素运移及淋溶损失模拟评价

设施菜地因大水大肥管理方式导致的氮素淋失已成为当前关注焦点。探寻氮素淋失阻控技术需要首先探明土壤中NO_3~--N的运移和淋失过程,找到淋失阻控的关键点,从而实现蔬菜栽培高产量低环境成本。本研究以京郊设施菜地黄瓜-番茄轮作系统为研究对象,通过田间试验获取土壤温度、湿度、NO_3~--N含量等数据,对反硝化-分解(DNDC)模型进行参数校验,并以农民常规种植模式为基线情景,设置改变土壤基础性质、灌溉量、施氮量等不同情景,运用DNDC模型对设施菜地系统土壤氮素运移及淋溶损失进行定量评价。结果表明:经验证后的DNDC模型能够较好地模拟蔬菜产量、5 cm土壤温度和0～20 cm土壤孔隙含水率变化以及NO_3~--N的迁移过程,是模拟和评价氮素运移和损失的有效工具。模拟不同情景表明,设施菜地0～60 cm土壤NO_3~--N累积主要受灌溉水量和氮肥施入量的影响,此外土壤pH和土壤有机碳的变化也是影响NO_3~--N运移的重要因子。节水节肥是设施菜地氮素淋失减量的最有效方法,相比常规措施,同时减少20%灌溉量和20%施氮量可明显降低59.04%的NO_3~--N淋失量。同时,在节水节肥的基础上改变灌溉方式并提高20%土壤有机碳含量,在保证蔬菜产量的前提下,能够进一步降低69.04%的NO_3~--N淋失量。可见, DNDC模型为设施菜地NO_3~--N淋失评价和阻控提供了一个较好的解决方案。在当前重点关注减氮节水等管理措施的同时,提高土壤本身的质量,不失为一种更有效的减少设施菜地氮素淋失的途径。     

Modeling the fate and transport of Al-Ahmadi oil spill

Over the period January-May 1991 Iraqi forces, occupying the state of Kuwait, caused a massive amount of oil to be released in the waters of the Arabian Gulf. The volume of oil released may have been as large as 6 × 10⁶ bbls. Most of the oil was released at or near Mina Al-Ahmadi in southern Kuwait. Two mathematical models, GULFSLIK II and OILPOL, were used to simulate the fate and transport of oil spilled at Al-Ahmadi. The oil spill trajectory model GULFSLIK II was used in an operational real time mode to predict the surface trajectory of oil spills at various locations. The real time trajectory analysis was used to support tactical spill response. Short term precictions were made using 7-d wind forecasts. Long term predictions were made using monthly wind averages. Comparisons between predicted trajectories and actual sightings show that GULFSLIK II is reasonably accurate. The oil spill fate and transport model, OILPOL, was applied to compute surface and subsurface distribution of oil, and analyze the fate of the spilled oil. An oil spill size of 4 × 10⁶ bbls was assumed. OILPOLL results were used to support damage assessment studies and environmental impact statements. The distribution of oil on the surface and subsurface layers were obtained daily for a period of 80 d. Oil concentration at strategic locations in the Gulf were also computed. Surface oil distribution as predicted by OILPOL was compared with sighting data. The results show excellent agreement.     

Reaction kinetics of gliadin-glutenin cross-linking in model systems and in bread making

The gluten proteins gliadin and glutenin are important for wheat flour functionality in bread making, where, during baking, they polymerize through a heat-induced sulfhydryl-disulfide exchange mechanism. A model system was used to study the kinetics of this reaction. Thus, gluten was subjected to hydrothermal treatment with the rapid visco analyzer (RVA) with holding temperatures of 80, 90, and 95 degrees C. At these temperatures, omega-gliadin solubility did not change, but the solubilities of alpha- and gamma-gliadin in 60% ethanol decreased according to first-order reaction kinetics. All reaction rate constants increased with temperature. The activation energies for the heat-induced exchange reaction were 110 and 147 kJ/mol for alpha- and gamma-gliadin, respectively. Starch did not influence the reaction rates of the association of alpha- and gamma-gliadin with glutenin. During gluten-starch model bread baking, glutenin oxidized first, and when the internal crumb temperature reached 100 degrees C, alpha- and gamma-gliadin cross-linked to glutenin, again following first-order reaction kinetics. The experimental findings and similarities in temperature conditions and reaction kinetics suggest that the RVA system can be instrumental in understanding gluten behavior in concentrated food systems, such as bread making.     

NMR methods for imaging of transport processes in micro-porous systems

Magnetic resonance imaging (MRI) allows non-destructive and non-invasive measurement and visualisation of both static and dynamic water phenomena. Flow and transport processes can either be measured by following the local intensity in time-controlled sequential images, by mapping the effect of contrast agents or labelled molecules, or by mapping the (proton) displacement in a well known time interval directly. By a proper choice of methods, a time window ranging from milliseconds to weeks (or even longer) can be covered. Combining transport measurements with relaxation time information allows the discrimination of transport processes in different environments or of different fluids, even within a single picture element within an image.

Here we present an overview of the principles of NMR imaging techniques to visualise and unravel complex, heterogeneous transport processes in porous systems. Applications and limitations will be discussed, based on results obtained in model and artificial soil systems.     

青花菜贮藏期间颜色变化动力学模型的建立

该试验利用CIE-L^*a^*b^*(Commission International de I'Eclairage,国际照明委员会制定的色彩空间坐标表色系统)中的a^*、b^*、H°、TCD(Total Color Difference,总色差)以及叶绿素含量和黄化级数来衡量青花菜色泽的变化情况, 旨在建立贮藏期间多种颜色指标的动力学模型。试验组分为0℃、5℃、10℃条件下分别在HDPE(high-density polyethylene高密度聚乙烯)薄膜单球包装与不包装两种情况下进行。试验结果显示，包装提升了青花菜贮藏期间的活化能，延迟了呼吸跃变的启动。非线性回归分析的结果表明，色泽参数b^*和TCD的速率常数符合Arrhenius模型，模型符合一级动力学反应；而a^*和H°的变化则可用多项式表示。贮藏青花菜的黄化级数与色泽参数b^*之间具有良好的相关性，为利用计算机视觉系统进行颜色分级提供了理论依据。     

Reduction in interrill sediment transport by rolled erosion control systems

Rolled erosion control systems (RECS) reduce detachment and transport of sediment by mitigating the basic processes of run-off and erosion (e.g., splash detachment, interrill transport, run-off velocity, surface crusting). Despite the variety of products available in the market today, only limited research has been conducted on their influence on erosion subprocesses. This study addresses some of the limitations of previous research by using laboratory rainfall simulation to study rainsplash sediment redistribution, run-off, total interrill sediment transport, and aggregate size transport from an erodible Vertisol. Three 3-h rainfall simulations were conducted on a 20° slope at a rainfall intensity of ≈100 mm h⁻¹ on (1) a bare soil control, (2) four predominately natural RECS, and (3) four synthetic RECS. Data indicate that all products significantly reduced run-off (enhanced infiltration), and decreased interrill sediment transport compared to the bare soil control. However, it was observed that several products (C125, Curlex I, Geojute, SC150BN, TB1000, and P300) were statistically more effective than PECMAT and TerraJute. Finally, preferential transport of selected aggregate fractions was examined. Cover percentage, three-dimensionality, and drapability were identified as favorable physical attributes for mitigating erosion processes.     

Modeling fate and transport of sulfate and alkalinity in an acidified lake

Acid mine drainage from Contrary Creek flows into an entire arm of Lake Anna. Much of the acid inflow is neutralized by bacterial sulfate reduction in the lake sediments. We developed a simple model to track the seasonal fate and mass transport of sulfate and alkalinity along the acidified arm. The loss of sulfate from the water column was characterized by a first-order decay reaction. A gain in alkalinity due to sulfate removal was also incorporated in the model. In addition, CO₂ acidity and pH in the water column were calculated. The model was calibrated with data collected in 1983 and 1984. Model sensitivity runs were conducted to demonstrate the importance of sulfate reduction in the system.     

镉在中性和碱性土柱中不同深度处的运移模拟

Human health has been potentially threatened by cadmium (Cd) contained in sewage irrigation water.Previous studies of Cd transport in soils were mainly conducted using small soil cores with pH values less than 6.The objectives of this study were to determine the parameters of the convection-dispersion equation (CDE) for Cd transport in relatively larger columns with neutral and alkaline soils,and to investigate the parameters' variability with depth.The soil columns were 50 cm in length and 12.5 cm in diameter.Ceramic suction lysimeters were buried at depths of 2.5,7.5,17.5,27.5,and 37.5 cm to abstract soil solution.Cd concentration in the soil solution samples were subsequently analyzed to obtain breakthrough curves (BTCs).Equilibrium and nonequilibrium models in CXTFIT program were used to estimate parameters of the CDE.The results suggested that both equilibrium and non-equilibrium models performed well in modeling Cd transport.The hydrodynamic dispersion coefficient (D) ranged from 0.18 to 10.70 cm 2 h 1,showing large differences among different depths.The retardation factor (R d) ranged from 25.4 to 54.7 and the standard deviation of R d value was lower than 30% of the mean value.Precipitation coefficient (R p) decreased consistently with increasing depth,varying from 1.000 × 10 10 to 0.661 h 1.Sensitivity tests showed that D was less sensitive than R d.These results would be helpful in understanding the transport and retention of Cd in non-acidic soils.     

Interfacial tension-induced transport of nonaqueous phase liquids in model aquifer systems

Nonaqueous phase liquids (NAPLs) such as solvents and fuels are common contaminants in soils and groundwater. Spills, leaking underground storage tanks, and improper disposal practices all result in the release and movement of NAPLs through soils. Movement of NAPLs through soil is considered to result from gravity- and/or capillarity-driven immiscible phase flow. Dispersive and convective transport of dissolved components, volatilization, sorption, and degradation are also considered important processes in NAPL contamination. An additional transport mechanism in which NAPLs spread on water surfaces due to differential adhesive and cohesive attractive forces is demonstrated in this study.     

Modeling of hydrophobic cohesive sediment transport in the Ells River Alberta,Canada

Purpose

In this paper, a novel modeling approach is applied to assess the unique transport characteristics of hydrophobic (bitumen containing) cohesive sediment for the Ells River, AB, Canada. The modeling offers a new way of treating the transport and fate of fine sediment in rivers and points to the importance of including a sediment entrapment process in the modeling of the Ells River sediment dynamics.

Materials and methods

The modeling approach involves combining two existing models (RIVFLOC and MOBED). Using fine sediment transport parameters derived from laboratory flume experiments (e.g., settling velocity of sediment as a function of floc size and the critical shear stresses for deposition) and the calculated flow field from the MOBED model (using field survey data such as, cross-sectional geometry, river slope, grain size of bed material, and discharge), the RIVFLOC model is used to predict the transport characteristics (including entrapment) of the hydrophobic Ells River sediment.

Results and discussion

The application of the connected RIVFLOC and MOBED models, demonstrated the unique hydrophobic sediment dynamics of the Ells River. The model showed no deposition (in the classical sense) of the hydrophobic sediment as the bed shear stresses, even at base flow, are well above the critical bed shear for deposition (flocculation is shown to occur, but its impact on settling is negligible given the high shear stresses). However, the model showed the possibility of fine sediment ingression into the river bed (interstitial voids) due to the entrapment process which is known to occur at bed shear stresses well above the critical shear stress for deposition.

Conclusions

The salient features of RIVFLOC and MOBED models and their applications for understanding the transport and fate of unique hydrophobic fine sediments are presented. The models are shown to be useful for the understanding and projection of flow characteristics and sediment dynamics (including entrapment), and will be of benefit for the adaptive management of riverine monitoring programs given various flow scenarios including extreme events and climate change.

     

Cu/Pb/Zn/Cd在石英砂中的迁移实验及模拟

通过稳定流混合置换实验,研究了孔隙水流速和pH变化对Cu/Pb/Zn/Cd在石英砂中迁移行为的影响,获得了示踪剂Br-和Cu/Pb/Zn/Cd的穿透曲线(BTCs);并通过室内批量平衡实验获得吸附系数,进而计算出阻滞因子Rd。基于这些实验结果,借助CXTFIT2.1软件,用平衡CDE模型拟合了Br-的BTCs,得到了弥散系数D;在此基础上应用CDE非平衡模型拟合Cu/Pb/Zn/Cd在不同流速和pH条件下的BTCs,并预测了平行实验和不同埋深处Cu/Pb/Zn/Cd浓度的动态变化。结果表明,Cu/Pb/Zn/Cd的迁移能力随流速的增大而增强,而随pH的增大而降低;化学非平衡的两点模型能较好地模拟本文实验条件下Cu/Pb/Zn/Cd的迁移过程。     

Use of mineralization kinetics to estimate the potentially mineralizable nitrogen of rock phosphate-enriched composts-amended soil

Predicting nitrogen (N) mineralization has been one of the greatest challenges to improving N management in agriculture. A laboratory incubation experiment was conducted to study the N mineralization of soil amended with rock phosphate (RP)-enriched composts. The RP-enriched rice straw compost amended soil mineralized highest N as compared to compost prepared from mustard stover and tree leaves. The first-order model was found to be the most suitable for N because it provided the best fit to the experimental data and for its simplicity. The model predicted that potentially mineralized N (N₀) was varied from 4.0 to 52.1 mg kg^?1 and the mineralization rate k varied from 0.015 to 0.066 day^?1. The rice straw compost amended soil had higher N₀ value than mustard stover and tree leaves compost amended soil. This study demonstrated the importance of application of rock phosphate-enriched composts in improving N supplying capacity of soil.     

Modeling of pollutant transport and removal during a regional sulfate episode

As part of a multidisciplinary study performed for the National Commission on Air Quality, the phenomena of atmospheric transport and the removal of SO₂ and SO₄ ^? during a major regional sulfate episode (the period July 18–25, 1978 in the eastern U.S.) had been examined. The main objective of this study was the evaluation and the quantification of varying source/receptor relationships under atmospheric conditions conducive to long-range transport of fine particulate matter. In the case study presented here, air mass trajectories were obtained using the numerical NMC trajectory predictions and the results of the isobaric trajectory computations at the 850 mb level. The effects of alternative regional SO₂ emission reduction scenarios on the predicted ambient SO₂ and SO₄ ^? concentrations were also investigated using the new modeling methods that were specifically developed for this purpose.     

基于COMSOL软件的绿洲盐渍化土壤中多离子耦合运移模型构建

了解盐分离子在土壤中的迁移规律可以为盐渍土的综合治理以及高效利用提供科学依据,在COMSOL多孔介质和地下水流模块模拟非饱和土壤水流的基础上,自定义偏微分方程组构建盐渍化土壤SO42–、Ca2+、Na+、Cl–、Mg2+耦合运移模型,考虑阳离子交换过程以及硫酸钙的沉淀溶解反应,并通过新疆绿洲膜下滴灌田间试验对模型进行检验,对比不同活度系数估算方法对模拟结果的影响。结果表明,各离子模拟值与实测值吻合较好,平均相对误差介于9.15%~28.57%,决定系数介于0.41~0.88,该模型能够较好地反映土壤中盐分离子的动态变化规律;在膜下滴灌条件下,膜下0~40 cm土层的盐分离子有不同程度的淋洗,Cl–和Na+的淋洗效果好于Ca2+和SO42–;活度系数的估算对模拟结果的准确性有重要影响,尤其是盐分含量较高时,采用通用的函数关系可能会带来较大的模拟误差。