CDI-Type II: Collaborative Research: Computational Models for Evaluating Long Term CO2 Storage in Saline Aquifers

该项目的主要目标是建立一个原型计算系统，以准确预测在多相流、岩石力学、多组分输运、热力学相行为、流体和岩石内的化学反应以及在多个时间和空间尺度上所有这些现象的耦合控制下注入的二氧化碳的命运。为了应对这一巨大的挑战，一个多学科研究小组已经成立，由高级研究人员M. F. Wheeler，T。Arbogast，地下建模中心的M. Delshad，奥斯汀德克萨斯大学经济地质局的I. Duncan，以及罗格斯大学应用软件系统实验室的M. Parashar。该小组的专业知识包括：(1)应用数学和计算科学，包括多尺度和多物理场算法，求解器，不确定性和优化；(2)计算机科学，包括动态自适应，模型/代码耦合，数据管理和传输；(3)成分建模和二氧化碳注入过程；(4)二氧化碳示范点。在项目的第三年和第四年，我们将为高中教师、高级高中生和对高中教学感兴趣的本科生举办为期两天的研讨会。我们将提供使用复杂地下水模拟器的培训，作为吸引和激发高中生兴趣的工具，也许会引导一些人从事数学、科学和跨学科工作。此外，两名博士后和大约两名研究生将在整个项目中得到支持。地质封存是一种久经考验的永久封存二氧化碳温室气体的方法，但这种方法很难设计和管理。预测计算模拟可能是解释地下环境缺乏完整特征的唯一手段，各种相互作用过程的多个尺度，咸水层的大面积，以及需要长期预测。该提案将研究高保真的多尺度和多物理场算法，以模拟多相流动和输送，结合地球化学反应和相关矿物学，以及多孔介质中的地质力学变形，以预测封存期间岩石性质的变化。这项工作将产生一个具有先进数值算法和二氧化碳应用研究基础技术的原型计算框架，该框架已通过现场规模的实验测试进行验证和验证。这个多学科的研究团队在(1)应用数学和计算科学，(2)计算机科学和工程，(3)成分建模和二氧化碳注入过程，以及(4)二氧化碳示范点方面具有专长。在项目的第三年和第四年，我们将为高中教师、高级高中生和对高中教学感兴趣的本科生举办为期两天的研讨会。我们将提供使用复杂地下水模拟器的培训，作为吸引和激发高中生兴趣的工具，也许会引导一些人从事数学、科学和跨学科工作。此外，两名博士后和大约两名研究生将在整个项目中得到支持。

Collaborative Research: Computational Models for Evaluating Long TermCO2 Storage in Saline AquifersThe key goal of this project is to produce a prototypicalcomputational system to accurately predict the fate of injected CO2in conditions governed by multiphase flow, rock mechanics,multicomponent transport, thermodynamic phase behavior, chemicalreactions within both the fluid and the rock, and the coupling of allthese phenomena over multiple time and spatial scales.To tackle this grand challenge effort, a multidisciplinary researchteam has been assembled of senior researchers M. F. Wheeler,T. Arbogast, and M. Delshad of the Center for Subsurface Modelingand I. Duncan from the Bureau of Economic Geology at TheUniversity of Texas at Austin, as well as M. Parashar ofthe Applied Software Systems Laboratory at Rutgers University. Thisgroup has expertise in (1) applied mathematics and computationalscience that includes multiscale and multiphysics algorithms, solvers,uncertainty, and optimization (2) computer sciencethat includes dynamic adaptivity, model/code couplings, and datamanagement and transport (3) compositional modeling andCO2 injection processes and (4) CO2 demonstration sites.In each of the third and fourth years of the project, we willhost a two-day workshop for high school teachers, advanced high schoolstudents, and undergraduate students with an interest in high schoolteaching. We will provide training in the use of a sophisticated groundwatersimulator, to be used as a tool to engage and pique the interest ofhigh schoolers, perhaps leading some to careers in mathematics, thesciences, and interdisciplinary work. In addition, two postdoctoralstudents and roughly two graduate students will be supportedthroughout the project.Geologic sequestration is a proven means of permanent CO2 greenhouse gasstorage, but it is difficult to design and manage such efforts. Predictivecomputational simulation may be the only means to account for the lack ofcomplete characterization of the subsurface environment, the multiple scales ofthe various interacting processes, the large areal extent of saline aquifers,and the need for long time predictions. This proposal will investigate highfidelity multiscale and multiphysics algorithms necessary for simulation ofmultiphase flow and transport coupled with geochemical reactions and relatedmineralogy, and geomechanical deformation in porous media to predict changes inrock properties during sequestration. The work will result in a prototypicalcomputational framework with advanced numerical algorithms and underlyingtechnology for research in CO2 applications, which has been validated andverified against field-scale experimental tests. The multidisciplinaryresearch team has expertise in (1) applied mathematics and computationalscience, (2) computer science and engineering, (3) compositional modeling andCO2 injection processes, and (4) CO2 demonstration sites.In each of the third and fourth years of the project, we willhost a two-day workshop for high school teachers, advanced high schoolstudents, and undergraduate students with an interest in high schoolteaching. We will provide training in the use of a sophisticated groundwatersimulator, to be used as a tool to engage and pique the interest ofhigh schoolers, perhaps leading some to careers in mathematics, thesciences, and interdisciplinary work. In addition, two postdoctoralstudents and roughly two graduate students will be supportedthroughout the project.