Collaborative Research on Reactive Transport: Modeling Spatial Cross-Correlation between Hydraulic and Reactive Aquifer Attributes as Determined by Sedimentary Architecture

反应输运协作研究：模拟由沉积结构决定的水力和反应含水层属性之间的空间互相关性

• 批准号: 0538124
• 负责人: Charles Mitchell
• 金额: --
• 依托单位: SUNY at Buffalo
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2006
• 资助国家: 美国
• 起止时间: 2006-06-01 至 2011-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0538124&HistoricalAwards=false
• 关键词: Collaborative; Research; Reactive; Transport; Modeling

0538124Allen-KingCollaborative Research on Reactive Transport:Modeling Spatial Cross-Correlation between Hydraulic and ReactiveAquifer Attributes as Determined by Sedimentary ArchitectureModels for reactive mass transport require a representation of how hydraulic and reactive attributes, such as permeability (k) and the sorption distribution coefficient (Kd), vary in space. No model has yet incorporated the authentic features of the co-variability of these attributesobserved in previous, detailed field studies. This is an important limitation of reactive transport models. We hypothesize that spatial co-variability between hydraulic and reactive attributes in sedimentary deposits depends upon transitions across unit types, much as has been previously shown for spatial variability of hydraulic attributes themselves. The hypothesis is predicated on the concept that sediment erosion, transport and deposition include processes which naturally sort sediment grains and create unit types that differ in composition (mineralogy) as well as grain size.Our hypothesis is based on observations and preliminary testing using lithofacies, k, and Kd data collected for the Borden aquifer. The specific goal of the proposed project is to develop and explore a new model that represents the spatial co-variability of hydraulic and reactive attributes as a function of the hierarchical architecture of sedimentary deposits and the probabilities for transitioning within and between lithologic units across different, relevant scales. The model will represent the following relationships observed in recent field studies: (1)The point-correlation may be positive within some unit types and uncorrelated or negative within others. (2) If correlation exists, it need not be perfect. (3) The lag cross-correlation with translation across unit boundaries may be positive when transitioning across certain unit types and negative across others. (4) There can be multiple, relevant integral scales of correlation associated with the different scale of unit types within the sedimentary architecture. The activities will include developing an appropriate data set from a well-characterized field site, computing theterms of the model which represent relationships within and across hierarchical levels, and gaining an understanding of which of these terms contribute significantly to the cross-correlation at the composite scale, which is the scale at which plume spreading is observed. Once we understand which terms are significant, we will model them as a part of developing the composite model function. The project will involve collaboration among two hydrogeologists, with expertise in geochemistry and geostatistics, and a sedimentologist. Intellectual merit of the proposed activity: Interpretive computational modeling studies have not yet been able to simultaneously reproduce all aspects of nonideal transport behavior that have been observed in controlled field studies. This strongly suggests that fundamental aspects of reactive transport are not yet fully understood. We posit here that lack of proper representation of the co-variability between hydraulic and reactive attributes within theinterpretive reactive transport models is a significant limitation within such studies. The proposed project will enhance overall understanding of co-variabilty of hydraulic and reactive attributes. It will help the research community to move beyond the simplistic paradigm currently used for representing co-variability and lead to development of a well-grounded alternative model built upfrom field observations. Thus, the work we propose will have an important impact on interpretive reactive transport modeling by improving our representation of the hydraulic and reactive attributes within reactive transport models.Broader impacts resulting from the proposed activity: The broader impacts of theproject fall within two general realms: those that enhance student training through direct or indirect participation in the project and those that benefit society through realization of improved understanding of the fate of organic contaminants within sedimentary aquifers

0538124关于反应性传输的研究：通过沉积架构构造质量确定的液压和反应率属性之间的空间互相关的建模，用于反应性质量运输，需要表示液压和反应性属性（例如渗透率（K）和摩擦分布（K）的液压和反应性属性（kd）和反应性属性（kd）。尚无模型纳入了以前的详细现场研究中这些属性的共同变量性的真实特征。这是反应性传输模型的重要局限性。我们假设沉积沉积物中的液压和反应性属性之间的空间可变性取决于单位类型之间的过渡，如先前所示，对于液压属性本身的空间变异性而言，这已经显示出来。该假设是基于以下概念：沉积物侵蚀，运输和沉积包括自然对沉积物晶粒进行分类的过程，并创建与晶状体，K和KD数据收集的观察结果和初步测试，这些过程自然地分类沉积物晶粒，并创建成分（矿物学）以及晶粒大小不同的单位类型。拟议项目的具体目标是开发和探索一个新模型，该模型代表了液压和反应性属性的空间可相互变量，这是沉积沉积物的层次结构的函数，以及在不同，相关尺度上的岩性单元内和之间过渡的概率。该模型将代表最近在最近的现场研究中观察到的以下关系：（1）点相关可能在某些单位类型中是正相关的，而在其他单位类型中可能是不相关或负面的。 （2）如果存在相关性，则不必是完美的。 （3）在跨单位边界跨某些单位类型过渡时，跨单位边界转换的滞后互相关可能是积极的，而在其他单位类型之间进行了负相关。 （4）与沉积体系结构中不同单位类型的不同尺度相关的相关相关相关的相关量表可能会有多个。这些活动将包括从特征良好的现场站点开发适当的数据集，计算代表层次内部和层次层次之间关系的模型的三个数据集，并了解这些术语中的哪一个对复合量表上的互相关有很大贡献，这是观察到羽毛差的规模。一旦我们了解了哪个术语很重要，我们将将它们建模为开发复合模型函数的一部分。该项目将涉及两位水文地质学家之间的合作，并具有地球化学和地统计学方面的专业知识，以及沉积学家。拟议活动的智力优点：解释性计算建模研究尚未能够同时再现在受控现场研究中已经观察到的非理想运输行为的所有方面。这强烈表明，反应性运输的基本方面尚未完全理解。我们在这里认为缺乏对解释性反应性传输模型中液压和反应性属性之间的可可变可定量性的不正确表示是此类研究的重要限制。拟议的项目将增强对液压和反应性属性的共同变量的总体理解。它将帮助研究界超越目前用于代表共同可变性的简单范式，并导致开发一个良好的替代模型，从而从现场观察到。因此，我们提出的工作将对解释性反应性传输建模产生重要影响含水层