土壤中反应性溶质保持模拟模型概述

水溶性污染物和有机污染物在非饱和带的运动规律是当前土壤物理学研究的前沿领域，模拟反应性溶质的运移模型，必须包含溶质和土壤基质之间的保持和释放反应。本文简要综述土壤对溶质保持反应的平衡模型、动力学模型和多反应模型的主要特点。     

多孔介质中多组分反应性溶质运移的研究进展

溶质在多孔介质中的运移,必然受到多组分反应的影响,并且此种情况下能用水动力方程和多组分化学平衡方程进行描述。本文回顾了此研究领域的运移模型、数值模拟、可应用的计算软件和相关的问题,并在此基础上,提出目前土壤多组分反应性溶质运移仍存在的问题。     

一维非饱和土壤溶质运移的有限体积法数值模拟

应用有限体积法对非饱和土壤一维溶质运移模型进行数值求解,模拟了土壤水分运动和溶质运移的动态过程.并以实测数据验证了模拟结果的合理性与有效性.通过对有限体积法和有限差分法进行比较,说明了有限体积法能很好地避免有限差分方法中常常出现的数值弥散和数值振荡现象,因此在模拟土壤溶质运移规律的研究中.该方法是一种很好的数值方法.     

考虑尺度效应的瞬时输入溶质运移模型及解析解

为探索土壤环境中尺度效应对溶质运移的影响,建立了瞬时输入条件下考虑尺度效应的溶质运移模型。通过Laplace变换和复变函数理论得到了模型的解析解,并利用解析解分析了弥散尺度效应对溶质运移过程的影响。结果表明：随着土壤弥散尺度效应的增强,土壤中溶质浓度分布范围越广,浓度峰运移的距离越大,但浓度峰值越小;随着入口弥散系数（D0）的增加,溶质运移的范围更大,溶质浓度峰值越小,但浓度峰运移的距离几乎没有变化;随着入口孔隙水流速度（v0）的增加,溶质浓度峰运移的距离越大,溶质的运移锋面越远,而溶质浓度峰值及溶质浓度分布范围几乎没有变化。用一维8 m 长土柱中的溶质运移试验资料对所推解析解进行验证,模拟结果与试验结果吻合较好,决定系数可达0.95以上。结果表明所推得的解析解可用来模拟预测较大尺度上溶质运移过程,为土壤环境治理等实际工程提供理论依据。     

地下水浅埋条件下包气带水和溶质运移数值模拟研究述评

地下水浅埋条件下包气带水和溶质运移规律是解决土壤盐渍化、地下水污染等环境与生态问题的基本理论基础,基于多孔介质水和溶质运移基本方程的数值模型是研究包气带物质运移的重要手段。通过深入分析土壤水和地下水之间的相互关系,强调在地下水埋深小于其极限埋深的情况下应把地下水作用耦合到包气带水和溶质运移模型中。该文概括总结了现有研究把地下水作用与土壤水模型相耦合的方法,并分析了各种方法的优缺点。在回顾现有土壤水分运动参数和溶质运移参数确定方法的基础上,归纳了包气带水和溶质运移模型从“点”尺度向“田块”尺度扩展的途径,随机方法仍将是今后的研究热点,并有望应用于实践。     

基于Markov链地统计模型的区域土壤性质研究进展

土壤水力学性质的空间变异对于区域土壤水分溶质循环模拟研究至关重要。基于Markov链的条件模拟是一种能融合多源信息技术的地统计学模拟方法,与传统插值法和基于变异函数的条件模拟相比有诸多优势。目前,该方法在土壤水力学性质空间变异性领域的研究并未全面展开。实现区域土壤水力学模型参数的随机模拟,对于实现区域土壤水分运动和溶质运移的随机模拟,分析土壤水力学性质空间变异性对土壤水分运动和溶质运移模拟结果的影响,特别是参数采样点变化对土壤水分运动和溶质运移结果影响的不确定性等研究都有重要意义。本文旨在综述基于Markov链的地统计学模拟在土壤学相关领域的研究进展,以期为区域模拟中面临的参数获取难题提供帮助,为区域农业生产管理,水分高效利用,农田生态环境保护提供科学依据。     

土壤溶质运移研究动态及展望

土壤溶质运移的研究是目前土壤物理学、环境科学和农业灌溉学的重要研究领域 ,本文根据国内外学者对土壤溶质运移转化方面的研究成果 ,综述了土壤溶质运移研究中的优势流、模型的建立、新的研究手段的采用以及方程参数的确定 ,并简要讨论了土壤溶质运移的发展趋势。     

土壤溶质运移特性研究进展

可溶性化学物质(土壤溶质)在土壤中的运移和分布已成为近年来研究的热点。本文综述了近年来土壤溶质运移机理、吸附模型、溶质运移数学模型等方面的研究进展。     

胶体作用下饱和土壤中Cd运移的数值模拟

通过室内土柱出流实验探讨了饱和壤砂土中Cd在SiO2胶体作用下的运移行为,并用对流-弥散方程(Convection-Dispersion Equation,CDE)对实验结果进行了数值模拟。结果表明,土壤中SiO2胶体的存在抑制了Cd的运移,土壤对Cd的吸附以动力学反应为主。耦合Freundlich等温吸附的单点非平衡模型(One Site Nonequilibrium Model,OSM)能较好地模拟Cd在壤砂土中的运移,模拟得到的吸附特性参数β较小,表明壤砂土吸附表面的不均一性较强。SiO2胶体的穿透时间较早,耦合沉淀-释放反应的CDE模型可以很好地描述SiO2胶体在壤砂土中的运移。胶体作用下的CDE模型成功地模拟了SiO2胶体存在时Cd的运移;同时,参数敏感性分析结果表明,胶体对Cd的吸附速率系数kamc、kaic越小,解吸速率系数kdmc、kdic越大,越有利于Cd的运移。     

饱和非均质土壤中溶质大尺度运移的两区模型模拟

目前,用于模拟土壤中溶质运移过程的两区模型(TRM)的研究均集中在实验室的短土柱上,涉及的尺度较小。本研究分别应用两区模型(TRM)、对流-弥散方程(CDE)和分数微分对流-弥散方程(FADE)对1 250 cm长一维非均质土柱中NaCl的运移过程进行模拟,并分析了TRM模型参数的变化特征。结果表明:实验土柱中存在一定的不动水体,与CDE和FADE相比,TRM能更好地描述土柱中不同位置处溶质穿透曲线的提前穿透和拖尾特征,表明TRM对较大尺度条件下非均质土壤中溶质运移的模拟具有更高的精度;应用TRM研究长土柱中溶质的运移问题依然存在弥散系数的尺度效应问题,但TRM的弥散尺度效应小于CDE;TRM中的可动水体含量可以由土壤的有效孔隙率与总孔隙率的比值来确定;而质量交换系数则与对流时间(x/vm)之间存在幂函数的相关关系。     

农田水盐运移与作物生长模型耦合及验证

合理定量描述土壤水盐动态及作物生长过程对于干旱灌区制定适宜的农业用水措施具有重要意义。该文以SWAP(soil water atmosphere plant)模型为基础,采用变活动节点法实现了对土壤融化期的水盐运移模拟,并在根系吸水计算中引入了基于S形函数的水盐胁迫计算方法,以修正原SWAP模型对根系吸水的模拟。进一步嵌入了参数与输入数据较少且可以模拟作物生长过程及实际产量的EPIC(environmental policy integrated calculator)作物生长模型,构建了改进的农田尺度土壤水盐动态与作物生长耦合模拟模型-SWAP-EPIC。分别采用宁夏惠农灌区春小麦和春玉米田间试验数据,对SWAP-EPIC模型田间适用性进行了检验。对比分析各层土壤水分与盐分浓度、作物生长指标(叶面积指数、地上部生物量)的模拟值与实测值,结果表明:春小麦和春玉米试验中土壤水分的平均相对误差MRE和均方根误差RMSE均接近于0且模型Nash效率系数NSE值趋近于1,水分模块模拟精度较高,盐分浓度模拟存在略微差异但总体上一致性较好,并且作物生长指标匹配良好;同时,模拟的产量和蒸散发均较为接近实际值,春小麦和春玉米产量模拟相对误差分别为4.9%和3.3%。综上,该文改进的SWAP-EPIC模型可良好地应用于寒旱区农田尺度土壤水盐运移与作物生长耦合模拟。     

土壤溶质迁移的指数函数模型

边界层方法是描述土壤溶质迁移的简单方法,通过边界层距离与时间的关系可以估计溶质迁移参数。基于边界层方法,研究了土壤溶质迁移的数学模拟及相应参数估计问题。假定土壤溶质浓度剖面为指数函数,得到了描述溶质浓度分布的指数函数模型。各参数对边界层距离的影响分析表明,应选取较小的孔隙水流速度、短历时推求土壤溶质迁移参数;对不同模型预测土壤溶质分布进行比较,结果表明,在短距离处指数型解与精确解的误差比其它都要小。误差分析表明了指数函数模型的有效性和实用性。     

Multi-domain model for pore-size dependent transport of solutes in soils

A multi-domain model for the transport of chemicals in soils is developed. The solute flux is related to the microscopic water flux, which is modelled using concepts to estimate the hydraulic conductivity of porous media. The pore space of the soil is divided into an arbitrarily large number of domains each representing an equivalent pore radius. The domains are arranged on a structural coordinate, perpendicular to the direction of mean water flow. Transport in the flow direction takes place in each domain by convection and diffusion with pore-size specific velocities. Solute mixing between the domains is simulated as convective-dispersive transport along the structural coordinate. The model is solved numerically for one-dimensional steady-state water flux under unit-gradient conditions. Required input parameters are the unsaturated conductivity function of a soil and a pore interaction coefficient which characterizes the solute exchange between the pore domains. Simulations show a gradual change from convection dominated transport (isolated tube model) to convective-dispersive transport. The length scale where this change takes place depends on the lateral mixing intensity, pore-size distribution of the medium, and saturation degree.     

Simulation of calcium leaching and desorption in an acid forest soil

The aim of the study was to evaluate effects of mobile and immobile water and diffusion‐limited transport on the binding and release of ions in soils. The desorption and leaching of calcium in a humic layer of a densely rooted acid forest soil under a beech stand was studied in laboratory experiments by leaching soil columns with a desorption solution and recycling the leachate through the columns. Radioactive tracers were added and monitored in the leachate to evaluate desorption and leaching characteristics of the soil. Parallel experiments were conducted with chloride and calcium to determine transport and desorption parameters independently. The experimental data were then analysed with a transport model, taking into account effects of mobile and immobile soil water fractions, and in the case of calcium assuming an equilibrium Langmuir adsorption isotherm. The transport was highly dependent on the mobility of the soil water, and in particular the fraction of the soil water to which the chemical was confined as a result of ionic properties. For chloride an excluded soil water phase had to be taken into account to explain the experimental findings. Immobile or mobile water and solute transfer and transport properties were not sufficient to explain non‐equilibrium effects in the adsorption reactions. Desorption curves agreed with results from batch experiments, provided the leaching experiments were done in such a way that equilibration between the soil solution and the solid matrix adsorption sites was reached, otherwise desorption was delayed and the calculated isotherms do not represent actual equilibrium adsorption–desorption conditions.     

Modelling cations in three acid soils with differing acid input in Germany

Prediction of concentration changes of cations in soil solutions is complex, and chemical models are necessary for the purpose. The objective of this study was to determine whether the reactions considered in a coupled equilibrium model were appropriate to predict cation concentrations when the initial equilibrium was disturbed by adding small amounts of electrolytes. Multi-ion sorption in three acid soils (two Cambisols and a Podzol) was studied by sequentially adding small amounts of electrolytes to samples of the soils in batch experiments. A chemical equilibrium model that included inorganic complexation and multiple cation exchange was used to interpret the results. For the subsoils, the solubility of jurbanite was also included in the model. Model results for the two Cambisol surface soils agreed well or satisfactorily with the measured pH and sorption values of Na, K, Mg, Ca, Mn, Al and Fe, with a few exceptions. Linear correlation coefficients were generally between 0.97 and 1, and the regressin coefficients for cations (modelled against measured) lay between 0.6 and 1.3. For the subsoils sorption of sulphate was described satisfactorily for the spodic dystric Cambisol and to some extent for the spodic Cambisol. Correlation coefficients for subsoils lay between 0.63 and 1, and the regression coefficients (modelled against measured) were between 0.9 and 1.6 for the Cambisols. The model did not predict pH and sorption data in surface and subsurface soils with very small amounts of exchange capacities, pointing to the significance of cation buffering resulting from exchange sites. This study showed the usefulness and limitations of equilibrium models to predict the composition of the soil solution.     

考虑尺度效应的土壤溶质运移动力学特征分析

[目的]为了了解土壤环境中弥散尺度效应、动力学吸附等作用对溶质运移过程的影响。[方法]应用Laplace变换方法和复变函数理论推得溶质运移动力学模型的解析解。利用De Hoog数值反演方法,验证解析解的正确性,利用解析解分析溶质在土壤中的运移特征。[结果]解析解的计算结果与反演函数Fourier级数项数2 N较大(N=500)时的De Hoog数值计算结果吻合很好;土壤溶质浓度随尺度效应的增强、吸附作用及生物降解作用的减弱而增大;分子扩散、一阶动力学吸附以及吸附相溶质降解作用对溶质运移变化影响较小。[结论]所推求解析解是正确的;土壤溶质运移的弥散尺度效应,溶质在液相和吸附相间的线性分配作用及溶质在液相中的降解作用是影响土壤溶质运移过程的主要因素。     

不饱和土壤中可溶性甲醇迁移过程模拟

A combined model of solute transport and water flow was developed to simulate the migration of methanol, a soluble organic chemical, in unsaturated soil zone. The solute transport equation considered convective-dispersive transport in the liquid phase as well as diffusion in the gas phase. The effect of rainfall and evapotranspiration on transport was considered at the boundary conditions of the governing equations. Data on the characteristics of a loam soil and the climatic conditions in southern California were also introduced to compare the results with those from a study in the USA in which the profiles of methanol distribution and water content in the soil zone at different times had been depicted. This comparison showed that there was good agreement between the two studies. The results showed that methanol contamination reached a depth of about 250 cm after 8 760 h. In contrast, if rainfall and evapotranspiration were not considered, the depth was only about 140 cm. The model therefore confirmed that rainfall strongly affected solute transport.     

地面灌溉技术参数对氮素运移分布影响的研究进展

地面灌溉是应用最广泛的灌水方法，通过优化地面灌溉设计和管理减少水氮淋失，正在成为研究的热点问题，该文对有关成果进行了综述。由于地面灌溉的尺度较大，加之土壤水力参数和溶质运移参数的空间变异，使得地面灌溉施肥条件下溶质(N)运移分布的田间试验研究，无论在技术上还是在投入上都具有一定难度。有关沟灌、畦灌和水平畦田灌溉施肥时水氮分布的田间试验结果指出，肥料(N)分布没有入渗水深分布均匀，且与土壤初始含水率、流量、土壤入渗参数、田面糙率和施肥时机等因素密切相关。在模拟研究方面，文献中报道的模型有纯对流模型、对流-弥散模型、基于活塞流的水平衡模型和传递函数模型等。鉴于地面灌溉条件下水氮运移的复杂性，在水氮运移分布的数学模拟、灌水技术参数和施肥方式对水氮淋失的影响以及灌溉施肥质量评价指标体系等方面尚需要进一步研究。