建立地下水系统中严格的生物地球化学反应迁移情景模型的高效新方法

IF 4.6 1区 地球科学 Q2 ENVIRONMENTAL SCIENCES
Xiaochuang Bu, Heng Dai, Songhu Yuan, Ming Ye, Zhenxue Dai, Mohamad Reza Soltanian, Zhang Wen, Alberto Guadagnini
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引用次数: 0

摘要

生物地球化学反应迁移模型(RTM)是了解地下水系统水质演变及其与人类活动相互作用的关键。在这些模型中,生物地球化学反应和传输过程在不同的时间尺度上同时进行,其固有的僵硬性给计算带来了巨大的挑战。当前 RTM 的开发特点是在精度和计算效率之间进行权衡。我们的研究引入了一种基于计算奇异扰动(CSP)的新方法,旨在高效求解地下水系统中的僵化生物地球化学 RTM。我们将 CSP 概念和算法与地下水系统的反应传输模型相结合。我们的研究结果表明,在保持精度的同时,效率也有了显著提高。为了演示和评估,我们将该方法应用于一系列典型的地下水生物地球化学 RTM,包括河岸含水层中 H2O2 的产生/消耗、六价铬的吸附-解吸平衡和脱氮过程。然后,对照传统的表观速率(AR)和平衡动力学(EK)方法对新方法进行了评估。结果表明,新方法能有效识别快速物种并简化反应网络,从而在保持显著准确性的同时大大降低了僵化程度和计算成本。总之,我们的方法为地下水系统中僵化的生物地球化学过程建模提供了一种稳健高效的解决方案。该方法在各种反应网络中的成功应用,彰显了其在环境和工程领域广泛应用的潜力,为精确且计算可行的地下水质量评估铺平了道路。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
A New Efficient Approach to Model Stiff Biogeochemical Reactive Transport Scenarios Across Groundwater Systems
Biogeochemical reactive transport models (RTMs) are key for understanding the evolution of the quality of groundwater systems and their interaction with anthropogenic activities. The inherent stiffness of these models, within which bio-geochemical reactions and transport processes take place simultaneously across diverse time scales, poses significant computational challenges. The development of current RTMs is characterized by a tradeoff between accuracy and computational efficiency. Our study introduces a novel approach grounded on Computational Singular Perturbation (CSP) with the aim of efficiently solving stiff biogeochemical RTMs in groundwater systems. We integrate the CSP concept and algorithm with a reactive transport model associated with a groundwater system. Our results document that this yields a significant improvement in terms of efficiency while maintaining accuracy. For demonstration and evaluation purposes, we apply the approach to a collection of typical groundwater biogeochemical RTMs including H2O2 production/consumption, Cr(VI) adsorption-desorption equilibrium, and denitrification processes within riparian aquifers. The new approach is then evaluated against traditional apparent rate (AR) and Equilibrium-kinetic (EK) methods. Our results reveal that the new approach effectively identifies fast species and simplifies reaction networks, thus significantly reducing stiffness and computational costs while maintaining remarkable accuracy. Overall, our approach offers a robust and efficient solution for modeling stiff biogeochemical processes in groundwater systems. Its successful application to diverse reaction networks highlights its potential for broad implementation in environmental and engineering contexts, paving the way for accurate and computationally feasible groundwater quality assessments.
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来源期刊
Water Resources Research
Water Resources Research 环境科学-湖沼学
CiteScore
8.80
自引率
13.00%
发文量
599
审稿时长
3.5 months
期刊介绍: Water Resources Research (WRR) is an interdisciplinary journal that focuses on hydrology and water resources. It publishes original research in the natural and social sciences of water. It emphasizes the role of water in the Earth system, including physical, chemical, biological, and ecological processes in water resources research and management, including social, policy, and public health implications. It encompasses observational, experimental, theoretical, analytical, numerical, and data-driven approaches that advance the science of water and its management. Submissions are evaluated for their novelty, accuracy, significance, and broader implications of the findings.
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