Sensitivity assessment,adjustment, and comparison of mathematical models describing the migration of pesticides in soil using lysimetric data

The water block of physically founded models of different levels (chromatographic PEARL models and dual-porosity MACRO models) was parameterized using laboratory experimental data and tested using the results of studying the water regime of loamy soddy-podzolic soil in large lysimeters of the Experimental Soil Station of Moscow State University. The models were adapted using a stepwise approach, which involved the sequential assessment and adjustment of each submodel. The models unadjusted for the water block underestimated the lysimeter flow and overestimated the soil water content. The theoretical necessity of the model adjustment was explained by the different scales of the experimental objects (soil samples) and simulated phenomenon (soil profile). The adjustment of the models by selecting the most sensitive hydrophysical parameters of the soils (the approximation parameters of the soil water retention curve (SWRC)) gave good agreement between the predicted moisture profiles and their actual values. In distinction from the PEARL model, the MARCO model reliably described the migration of a pesticide through the soil profile, which confirmed the necessity of physically founded models accounting for the separation of preferential flows in the pore space for the prediction, analysis, optimization, and management of modern agricultural technologies.     

The use of the PEARL model for assessing the migration of metribuzin in soil

The use of the PEARL mathematical model for describing the transfer of metribuzin in the soil profile and its migration to ground water was studied. The model was adjusted using experimental data on the water regime and the lysimetric runoff of soddy-podzolic soils in large lysimeters of Moscow State University. Without adjustment, the model successfully predicted the residual metribuzin concentrations in the topsoil but underestimated its content in the lower soil layers. After adjustment, the model more adequately predicted the herbicide concentrations in the lower horizons of the soil profile. The model adjustment improved the accuracy of predicting the accumulative removal of metribuzin beyond the soil profile by three orders of magnitude. The validation of the model with an independent data set showed satisfactory accuracy for forecasting the lysimetric runoff in soddy-podzolic soil and a rather low accuracy for predicting the distribution of the pesticide in the soil profile.     

Describing movement of three pesticides in soil using a cstr in series model

The movement of methyl parathion, lindane, and atrazine in two successive soil layers has been described by a Continuously Stirred Tank Reactor (CSTR) model. In the first layer the concentration of each pesticide continuously decreased with time. In the second layer, a peak maxima appeared, whose position might be dependent on the water solubility of each pesticide and their adsorption by soil components. The physical process of transfer with the precipitating rainfall could be the main factor governing the transfer of pesticides, while the chemical, photochemical and biological processes of degradation acted uniformly on top of this process.     

基于元胞自动机的黄土坡面细沟侵蚀模型研究

在黄土高原,细沟侵蚀量占坡面总侵蚀量的70%左右。细沟侵蚀作为坡面侵蚀的主要形式,是坡面水蚀物理过程的重要组成部分[2]。长期以来,尽管国内外学者针对细沟侵蚀已经进行了大量的研究工作,但人们还未充分理解和掌握细沟侵蚀的形成和演化机理。现有研究大都将动态复     

Emission of Pesticides into the Air

During and after the application of a pesticide in agriculture, a substantial fraction of the dosage may enter the atmosphere and be transported over varying distances downwind of the target. The rate and extent of the emission during application, predominantly as spray particle drift, depends primarily on the application method (equipment and technique), the formulation and environmental conditions, whereas the emission after application depends primarily on the properties of the pesticide, soils, crops and environmental conditions. The fraction of the dosage that misses the target area may be high in some cases and more experimental data on this loss term are needed for various application types and weather conditions. Such data are necessary to test spray drift models, and for further model development and verification as well. Following application, the emission of soil fumigants and soil incorporated pesticides into the air can be measured and computed with reasonable accuracy, but further model development is needed to improve the reliability of the model predictions. For soil surface applied pesticides reliable measurement methods are available, but there is not yet a reliable model. Further model development is required which must be verified by field experiments. Few data are available on pesticide volatilization from plants and more field experiments are also needed to study the fate processes on the plants. Once this information is available, a model needs to be developed to predict the volatilization of pesticides from plants, which, again, should be verified with field measurements. For regional emission estimates, a link between data on the temporal and spatial pesticide use and a geographical information system for crops and soils with their characteristics is needed.

     

Modelling soil physical behaviour with particular reference to soil science

Soil is a very complex material. It consists of three interacting phases, namely solid, liquid and gas phase, which participate in a number of different processes controlling physical soil behaviour. These include water, solute and heat flow, mechanical stress–strain displacement and failure under shear and tensile forces. Often physical soil behaviour is investigated by treating either process in isolation rather than accounting for their interdependency. This is probably related to the multiplicity and complexity of interactions that need to be combined to fully represent the physical response of soils to variable environmental conditions. This paper describes a computer model that can analyze hydraulic and mechanical processes interactively. However, the computer model by itself is not sufficient, as the accuracy of modelling depends on the sampling, testing and verification of the soils analyzed in the soil problem. Some applications of modelling soil physical behaviour in soil science are presented.     

非饱和土壤一维水分入渗与再分布的解析解法

Soil infiltration and redistribution are important processes in field water cycle, and it is necessary to develop a simple model to describe the processes. In this study, an algebraic solution for one-dimensional water infiltration and redistribution without evaporation in unsaturated soil was developed based on Richards equation. The algebraic solution had three parameters, namely, the saturated water conductivity, the comprehensive shape coefflcient of the soil water content distribution, and the soil suction allocation coefficient. To analyze the physical features of these parameters, a relationship between the Green-Ampt model and the algebraic solution was established. The three parameters were estimated based on experimental observations, whereas the soil water content and the water infiltration duration were calculated using the algebraic solution. The calculated soil water content and infiltration duration were compared with the experimental observations, and the results indicated that the algebraic solution accurately described the unsaturated soil water flow processes.     

Determination of the atrazine migration parameters in Vertisol

The parameters of the atrazine migration in columns with undisturbed Vertisol sampled from an irrigated plot in Guanajuato, Mexico were determined. A model of the convection-dispersion transport of the chemical compounds accounting for the decomposition and equilibrium adsorption, which is widely applied for assessing the risk of contamination of natural waters with pesticides, was used. The model parameters were obtained by solving the inverse problem of the transport equation on the basis of laboratory experiments on the transport of the ¹⁸O isotope and atrazine in soil columns with an undisturbed structure at three filtration velocities. The model adequately described the experimental data at the individual selection of the parameters for each output curve. Physically unsubstantiated parameters of the atrazine adsorption and degradation were obtained when the parameter of the hydrodynamic dispersion was determined from the data on the ¹⁸O migration. The simulation also showed that the use of parameters obtained at water content close to saturation in the calculations for an unsaturated soil resulted in the overestimation of the leaching rate and the maximum concentration of atrazine in the output curve compared to the experimental data.     

不同土壤物理属性空间分布对水文过程模拟的影响

基于不同空间分辨率的土壤物理属性数据(土壤田间持水量、孔隙度和饱和水力传导度),运用WATLAC分布式水文模型模拟了西苕溪流域2005-2010年的水文过程。对比评价了土壤物理属性空间分布对地下水补给、土壤蒸发、径流量及其组分的影响。结果显示,利用不同空间分辨率土壤物理属性数据模拟的流量过程与实测值都匹配的很好,模拟精度相当,更详尽的土壤属性空间分布信息未能明显提高模型模拟的精度;而对于地下水补给量,高分辨率的土壤属性空间分布会使其模拟结果大幅减小,但对土壤蒸发量则影响较小,两种数据模拟的结果及其空间分布都很接近;同时,虽然土壤物理属性空间分布的分辨率对模拟的径流总量影响甚微,但对基流与地表径流的分割却产生了较大影响。     

作物需水时空尺度特征研究进展

受气象、土壤和种植条件等客观条件的影响,作物需水时空尺度分布具有明显的时空异质性,致使作物需水的理论和模型具有高度的尺度依赖性。基于此,该文对作物需水时空尺度特征的计算方法及其运用情况作了详细的阐述,并建议在今后作物需水时空尺度特征的进一步研究中,应以试验数据为基础,运用分形、小波、信息熵等复杂性理论,研究作物需水的时空尺度特征,发展既有理论基础又便于应用的区域尺度的作物需水量估算新模式。     

Analysis of the sorption and migration of substances in soil with the use of mathematical models

Little-discussed aspects of mathematical models of migration, which contribute to better understanding of soil processes, were considered. These are the effect of the sorption isotherm parameters and sorption kinetics on the complexity of the migration models, the potentially great contribution of the diffusion of adsorbed ions to the general migration in the soil, the probability of an anomalously high diffusion flux through the soil under high sorption conditions, and the possibility for the nontrivial assessment of the exchangeable and mobile forms of substances in the soil from the migration parameters. The migration analysis features under field conditions and related additional uncertainties compared to the laboratory experiments were discussed, as well as new opportunities for the control of the technogenic contamination of the environment.     

沟灌入渗湿润体运移距离预测模型

为进一步探明沟灌入渗湿润体的影响因素和其运移规律,该文通过黏壤土和砂土的室内沟灌入渗试验,重点研究了土壤容重、沟中水深和土壤初始含水率对沟灌入渗湿润体的影响。通过分析,发现湿润锋垂直和水平方向运移距离与时间的1/2次方呈线性函数关系,建立了包含土壤容重、沟中水深、土壤初始含水率等因素的湿润峰运移距离预测模型,并对模型进行验证,结果表明模型精度较高,用其模拟沟灌入渗湿润峰运移距离是可行的。研究结果可为改进沟灌灌水技术提供参考。     

果蔬干燥过程的水分跨膜传输模型构建

为了较真实地描述干燥过程中果蔬组织内水分的传输情况,该文回顾了多孔介质干燥过程及相关研究模型。针对果蔬组织生理学结构及其特征,提出了干燥过程中水分在其内部的传输模型,并通过显微图像技术及热风干燥试验对模型中相关参数进行了试验测定。建立的水分跨细胞膜传递模型有效计算了水分在果蔬组织内部的跨细胞壁传输过程。研究结果表明:果蔬组织中约90%的水分存在于细胞内;干燥过程中水分迁移的过程为:首先细胞内液泡中的水分跨细胞膜流出至细胞间隙,该过程可通过水分跨膜传输通量(JV)来计算;然后,进入细胞间隙的水分可视为一般多孔介质内的孔道水分扩散过程用传统的孔道网络模型进行计算。     

Modelling the rhizosphere: a review of methods for 'upscaling' to the whole-plant scale

The rhizosphere is a dynamic region where multiple interacting processes in the roots and surrounding soil take place, with dimensions set by the distance to which the zone of root influence spreads into the soil. Its complexity is such that some form of mathematical modelling is essential for understanding which of the various processes operating are important, and a minimal model of the rhizosphere must provide information on (a) the spatiotemporal concentration changes of mobile solutes in the root‐influenced soil, and (b) the cumulative uptake of solutes per unit length of root over time. Both are unique for a given set of parameters and initial conditions and hence the model is fully deterministic. ‘Up‐scaling’ to uptake by whole plants by integrating individual fluxes requires a measure of the growth and senescence of the root system. Root architecture models are increasingly successful in providing this. The spatio‐temporal scales of the rhizosphere and roots are sufficiently different that they can be treated separately, and this greatly simplifies modelling. The minimal model has been successfully applied to the more‐mobile nutrients in soil, such as nitrate or potassium, but much less successfully to less‐soluble nutrients such as phosphorus, because other, undescribed processes become important. These include transfers from unavailable forms, heterogeneity of resource distribution, root competition, water redistribution and adaptive processes. Incorporating such processes into models can disrupt independent scaling. In general, scaling from the scale of the individual root to that of the whole plant does not pose insuperable problems. Paradoxically, the major challenge in introducing more complexity is that experimental corroboration of the model is required at the individual root scale.     

靶向灭草机器人药液喷洒空气动力学模型建立与验证

为提高除草剂的有效利用率、降低环境污染,该文研制了一种靶向灭草机器人,建立机器人的药液喷洒动力学模型是提高对靶施药精度的关键。在综合考虑多种影响因素前提下,采用空气动力学原理建立了液滴在喷洒过程中的动力学模型,并推导出液滴的落地点公式;在此基础上通过计算机数值模拟得出了液滴群的落地覆盖区域,同时分析了液滴阻力特性及各工作参数对运动过程的影响;在室内无风条件下,应用高速摄像技术进行了喷洒试验,将液滴群的实际落地覆盖区域与理论覆盖区域比对,相对误差为8%~13%,同时采用吸水纸称质量法分析了药液有效覆盖区域的沉积量分布特性。研究结果表明:借由药液喷洒动力学模型得出的理论药液覆盖区域与试验结果具有一定的吻合性,验证了模型的适用性。该研究可为搭建相关靶向喷洒系统提供参考。     

Quantitative Estimate of the Heterogeneity of Solute Fluxes Using the Dispersivity Length for Mathematical Models of Pesticide Migration in Soils

Mathematical models of solute movement in soils are used as management means for assessing the migration of agrochemicals and calculating environmental risks. In these models, the soil block includes the soil values of dispersivity length or solute diffusivity as one of the main parameters. Under laboratory conditions, this parameter was determined experimentally in soil columns by recording the dynamics of the effluent concentration and solving inverse problems. A direct experimental method of field determination based on the movement of marker solution was tested. For the prediction, risk calculation, and management of pesticide application using physically based mathematical models, the following stepwise procedure is recommended: (1) model parameterization based on experimental soil properties; (2) use of the field dispersivity length, which was 3–11 cm for the 0- to 40-cm layer, exceeded 12 cm for deeper fissured BEL and BT (40- to 60-cm) horizons with prismatic structure, and had a median value of 21 cm in layers below 60 cm in experiments on an agrosoddy-podzolic soil (Eutric Albic Glossic Retisol (Abruptic, Loamic, Aric) (WRB, 2014) from Moscow oblast.     

Modelling temperature,moisture and surface heat balance in bare soil under seasonal frost conditions in China

Soil heat and moisture processes are interconnected, especially during low temperatures. To examine the interaction between soil temperature and moisture under freeze‐thaw cycles, a physical process‐based model (CoupModel) coupled with uncertainty analysis was applied to 3‐year measurements under seasonal frost conditions from a site in the black soil belt of northeast China. The uncertainty in parameters and measurements was described by general likelihood uncertainty estimation (GLUE). To identify the degree of linkage between soil temperature and moisture, three criteria were applied to them separately or together. The most sensitive parameters among 26 site‐specific parameters were closely related to soil heat, soil evaporation and freeze‐thaw processes. Soil temperature was simulated with less uncertainty than soil moisture. Soil temperature measurements had the potential to improve model performance for soil water content, whereas soil moisture measurements demonstrated a trade‐off effect when finding a model with good performance for both temperature and moisture. During winter conditions the uncertainty ranges of soil temperature were most pronounced, probably because of the greater complexity of soil properties during the freeze‐thaw process and the uncertainty caused by snow properties. The largest uncertainty ranges of both soil water content and soil water storage were found mainly in the deep soil layers. The simulated surface heat fluxes are an important output of the model and it is of great value to compare them with the results from regional climate models and micrometeorological measurements.     

基于分布式非点源有毒污染物模型的农药输移研究

以山东省临沂流域为研究区,基于分布式非点源有毒污染物模型ESSI-2对当地的农药输移过程进行研究。选取甲基异柳磷为模拟农药种类,基于合理的农药假设数据,对分布式有毒污染物模型ESSI-2进行参数率定,并基于模拟结果,对临沂流域的甲基异柳磷负荷及其输移的空间分布特征进行了分析。结果表明,分布式非点源有毒污染物模型是研究农药输移过程的首选工具。临沂流域在农药施用初期,其空间分布主要与农药的施用相关,随着时间的推移,在水流的作用下,农药逐渐向河道汇聚,从而流向下游流域,在这一阶段中,地表径流是影响农药输移的主要因素。     

基于数据同化的土壤水力参数反演方法：研究进展与展望

土壤水力参数及其非均质性刻画关乎到诸多土壤与地下水等领域的量化模拟研究问题。受限于时间和采样成本，传统的直接测定方法并不能很好地解决这个问题。随着物联网技术的发展，与土壤水运动有关的一些状态表征量（如含水量和水头）已经能够通过传感器实时获得。如何充分融合这些观测数据信息，反演出土壤水力参数是当前的一个研究热点。数据同化方法能够通过融合观测数据与模型预测值信息，实现对模型参数的反演估计。本文系统分析了土壤水力参数不确定性的来源及测定方法，阐述了常用数据同化方法的基础理论及其在土壤水力参数反演方面的应用，并从计算效率和反演精度两方面着重论述了数据同化方法的最新前沿进展，最后探讨了数据同化方法未来的发展方向。研究表明：数据同化方法能够突破传统测定方法的限制，用于土壤水力参数及其非均质性刻画。尽管如此，由于土壤非饱和流模型的强非线性以及原位观测数据的相对稀缺性等问题的存在，当前数据同化方法的计算效率和反演精度还有待进一步提升。未来可从发展监督式降维方法、多源多尺度数据融合以及耦合物理规律的机器学习等方面深化土壤水力参数反演方法研究，这有利于农业土水管理、污染防治和修复等工作的合理开展。