Collaborative Research: Hybrid Modeling of Reactive Transport in Porous and Fractured Media

合作研究：多孔和断裂介质中反应输运的混合建模

• 批准号: 1742569
• 负责人: Ilenia Battiato
• 金额: $ 4.73万
• 依托单位: Stanford University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2017
• 资助国家: 美国
• 起止时间: 2017-02-01 至 2017-04-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1742569&HistoricalAwards=false
• 关键词: Collaborative; Research; Hybrid; Modeling; Reactive

Subsurface flow and transport take place in complex heterogeneous environments that exhibit a hierarchy of scales. More often than not, physical and bio-geochemical phenomena on one scale (e.g., a pore scale) affect, and are coupled to phenomena on a vastly different scale (e.g., a field scale). Such phenomena defy coarse-scale continuum descriptions, since they exhibit high localization (e.g., propagation of reactive fronts and biofilm growth) and/or strong nonlinear coupling between the processes involved (e.g., dynamic changes in porosity and permeability due to dissolution or precipitation). Hybrid numerical algorithms are to be used when coarse-scale continuum models fail to accurately describe a physical phenomenon in a small part of a computational domain. Accurate and efficient coupling of two (or more) models operating on vastly different spatial and/or temporal scales in a hybrid remains a major theoretical and computational challenge. A key to the success of a hybrid method is an efficient implementation of coupling conditions on the interface between its constitutive models. Additionally, uncertainty about pore geometry undermines the veracity of pore-scale simulations and, hence, of hybrid simulations of which they are a constitutive part. Overreaching goals of the proposed activity are to establish a theoretical foundation for hybrid modeling of subsurface flow and transport, to develop corresponding numerical algorithms, and to provide computational tools for robust uncertainty quantification in hybrid models. To achieve these goals, the investigators will develop hybrid algorithms for reactive flows in fractured and porous media, quantify uncertainty in pore-scale geometry in hybrid simulations, and experimentally validate hybrid simulations. In terms of broader impact, this proposal will enhance sustainability of essential water resources. Groundwater is a principal source of domestic water supply in the United States, and it is a major source of fresh water for industrial, agricultural and public uses. By establishing a novel modeling framework, this proposal will provide a scientific basis for reliable predictions of impacts of land use change and climate change, and more accurate assessments of groundwater contamination risks. The methods and algorithms developed in the course of the proposed activity will lay a solid foundation for improved quantitative understanding of subsurface processes with tightly coupled pore- and field-scales. The proposal will support the efforts of graduate students. The investigators will actively promote STEM career paths of underrepresented groups, and establish an outreach K-12 program dedicated to providing an intensive college prep education for motivated low-income students.

地下流动和输运发生在复杂的非均质环境中，并表现出一定的尺度层次。通常情况下，一个尺度（如孔隙尺度）上的物理和生物地球化学现象会影响并耦合到另一个尺度（如场尺度）上的现象。这些现象不符合粗尺度连续体的描述，因为它们表现出高度局域化（例如，反应锋面的传播和生物膜的生长）和/或相关过程之间的强非线性耦合（例如，由于溶解或沉淀导致的孔隙度和渗透率的动态变化）。当粗尺度连续体模型不能准确地描述计算域中的一小部分物理现象时，应使用混合数值算法。在混合空间和/或时间尺度上运行的两个（或多个）模型的准确和有效耦合仍然是一个主要的理论和计算挑战。混合方法成功的关键是在其本构模型之间的接口上有效地实现耦合条件。此外，孔隙几何形状的不确定性破坏了孔隙尺度模拟的准确性，因此，它们是混合模拟的组成部分。本研究的主要目标是建立地下流动和输运混合模型的理论基础，开发相应的数值算法，并为混合模型中的鲁棒不确定性量化提供计算工具。为了实现这些目标，研究人员将开发用于裂缝和多孔介质中反应性流动的混合算法，量化混合模拟中孔隙尺度几何形状的不确定性，并通过实验验证混合模拟。就更广泛的影响而言，这一建议将加强基本水资源的可持续性。地下水是美国家庭用水的主要来源，也是工业、农业和公共用水的主要淡水来源。通过建立新的模型框架，将为可靠预测土地利用变化和气候变化的影响以及更准确地评估地下水污染风险提供科学依据。在提议的活动过程中开发的方法和算法将为改进对孔隙和油田尺度紧密耦合的地下过程的定量理解奠定坚实的基础。该提案将支持研究生的努力。调查人员将积极促进代表性不足群体的STEM职业道路，并建立一个扩展K-12计划，致力于为有动力的低收入学生提供密集的大学预科教育。

项目成果

Physics-based hybrid method for multiscale transport in porous media

基于物理的多孔介质多尺度传输混合方法

• DOI: 10.1016/j.jcp.2017.04.055
• 发表时间: 2017
• 期刊: Journal of Computational Physics
• 影响因子: 4.1
• 作者: Yousefzadeh, Mehrdad;Battiato, Ilenia
• 通讯作者: Battiato, Ilenia

Homogenizability conditions for multicomponent reactive transport

• DOI: 10.1016/j.advwatres.2013.07.014
• 发表时间: 2013-12-01
• 期刊: ADVANCES IN WATER RESOURCES
• 影响因子: 4.7
• 作者: Boso, Francesca;Battiato, Ilenia
• 通讯作者: Battiato, Ilenia

Single-parameter model of vegetated aquatic flows

• DOI: 10.1002/2013wr015065
• 发表时间: 2014-08-01
• 期刊: WATER RESOURCES RESEARCH
• 影响因子: 5.4
• 作者: Battiato, Ilenia;Rubol, Simonetta
• 通讯作者: Rubol, Simonetta

An Analysis Platform for Multiscale Hydrogeologic Modeling with Emphasis on Hybrid Multiscale Methods

• DOI: 10.1111/gwat.12179
• 发表时间: 2015
• 期刊: Groundwater
• 影响因子: 2.6
• 作者: Timothy Scheibe;E. M. Murphy;Xingyuan Chen;A. Rice;K. Carroll;B. Palmer;A. Tartakovsky;I. Battiato;B. Wood

Modeling variability in porescale multiphase flow experiments

• DOI: 10.1016/j.advwatres.2017.04.005
• 发表时间: 2017-07-01
• 期刊: ADVANCES IN WATER RESOURCES
• 影响因子: 4.7
• 作者: Ling, Bowen;Bao, Jie;Tartakovsky, Alexandre M.
• 通讯作者: Tartakovsky, Alexandre M.