Despite the widespread use of integrated hydrology models in a variety of applications, consideration of multicomponent reactive transport is still not common. The implementation of these processes requires coupling transport at the surface-subsurface interface and efficient solution of the non-linear geochemical model that is consistent with the integrated hydrology solution. The Advanced Terrestrial Simulator provides a flexible multiphysics framework that facilitated this process. In this work, the integrated reactive transport process kernel (PK) was weakly coupled to the integrated hydrology PK. In turn, integrated transport and reactions were coupled using an operator splitting approach. This splitting enabled an explicit solution of the integrated transport problem, including a novel algorithm to calculate exchange fluxes across the surface-subsurface interface and a point-by-point solution of the geochemical problem. Geochemical capabilities were added using well-established external codes, but rather than using a custom interface to each, a generic interface was used that clearly specifies the variables and operations used by the chemistry PK. The implementation is demonstrated with two example simulations: transport of a tracer in a soil column as it saturates over time and water ponds on the surface and reactive transport in a hillslope driven by successive wet-dry cycles that result in infiltration, runoff and exfiltration processes.

中文翻译：

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综合地表地下水文问题的多组分反应输运模型

尽管在各种应用中广泛使用综合水文模型，但考虑多组分反应输运仍然不常见。这些过程的实施需要地表-地下界面处的耦合输运和与综合水文解决方案一致的非线性地球化学模型的有效解决方案。高级陆地模拟器提供了一个灵活的多物理场框架来促进这一过程。在这项工作中，综合反应转运过程内核 (PK) 与综合水文 PK 弱耦合。反过来，综合运输和反应使用算子拆分方法耦合。这种分裂能够明确解决综合运输问题，包括一种新的算法来计算地表-地下界面的交换通量和地球化学问题的逐点解决方案。地球化学功能是使用完善的外部代码添加的，但不是使用自定义接口，而是使用通用接口明确指定化学 PK 使用的变量和操作。该实施通过两个示例模拟进行演示：随着时间的推移，土壤柱中的示踪剂的传输和地表上的水池以及由连续干湿循环驱动的山坡中的反应性传输，从而导致渗透、径流和渗出过程. 但不是对每个都使用自定义接口，而是使用通用接口明确指定化学 PK 使用的变量和操作。该实施通过两个示例模拟进行演示：随着时间的推移，土壤柱中的示踪剂的传输和地表上的水池以及由连续干湿循环驱动的山坡中的反应性传输，从而导致渗透、径流和渗出过程. 但不是对每个都使用自定义接口，而是使用通用接口明确指定化学 PK 使用的变量和操作。该实施通过两个示例模拟进行演示：随着时间的推移，土壤柱中的示踪剂的传输和地表上的水池以及由连续干湿循环驱动的山坡中的反应性传输，从而导致渗透、径流和渗出过程.