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HYDRUS Unsatchem模块
地球化学UNSATCHEM模块已集成到HYDRUS-1D和HYDRUS (2D/3D)软件包的一维、二维和三维计算模块中。该地球化学UNSATCHEM模块模拟可变饱和多孔介质中主要离子的运移，包括主要离子平衡和动力学非平衡化学过程。生成的代码用于预测土壤中瞬态流动条件下的主要离子化学以及水盐通量。UNSATCHEM-2D中化学系统的主要变量为：Ca、Mg、Na、K、SO₄、Cl、NO₃、H₄SiO₄、碱度和CO₂。该模型考虑了这些组分之间的各种平衡化学反应，如络合、阳离子交换和沉淀-溶解。对于方解石的沉淀-溶解和白云石的溶解，可以使用平衡或多组分动力学表达式，其中包含正向和反向反应。考虑的其他溶解-沉淀反应包括石膏、水镁石、三水菱镁矿和海泡石。由于土壤溶液的离子强度在时间和空间上可能会有很大变化，并且经常达到较高值，因此模型中同时包含了修正的Debye-Hückel和Pitzer表达式来计算单离子活度。还考虑了溶液化学对水力传导率的影响。水流和热运移模块与常规HYDRUS基本一致。可能的应用包括：农业土壤盐渍化/改良的研究、各种灌溉系统的可持续性，以及采矿作业中盐水处置的研究。UNSATCHEM模块的应用通过多个示例进行演示。
Unsatchem示例
Unsatchem相关参考文献
- Šimůnek, J., and D. L. Suarez, Modeling of carbon dioxide transport and production in soil: 1. Model development, Water Resour. Res., 29(2), 487-497, 1993. 下载PDF
- Suarez, D. L., and J. Šimůnek, Modeling of carbon dioxide transport and production in soil: 2. Parameter selection, sensitivity analysis and comparison of model predictions to field data, Water Resour. Res., 29(2), 499-513, 1993. 下载PDF
- Šimůnek, J., and D. L. Suarez, Two-dimensional transport model for variably saturated porous media with major ion chemistry, Water Resour. Res., 30(4), 1115-1133, 1994. 下载PDF
- Suarez, D. L., and J. Šimůnek, UNSATCHEM: Unsaturated water and solute transport model with equilibrium and kinetic chemistry, Soil Sci. Soc. Am. J., 61, 1633-1646, 1997. 下载PDF
- Šimůnek, J., and D. L. Suarez, Sodic soil reclamation using multicomponent transport modeling, ASCE J. Irrig. and Drain. Engineering, 123(5), 367-376, 1997. 下载PDF
- Šimůnek, J., D. L. Suarez, and M. Šejna, The UNSATCHEM software package for simulating one-dimensional variably saturated water flow, heat transport, carbon dioxide production and transport, and multicomponent solute transport with major ion equilibrium and kinetic chemistry, Version 2.0, Research Report No. 141, U.S. Salinity Laboratory, USDA, ARS, Riverside, California, 186 pp., 1996. 下载PDF (3.5Mb)
- Šimůnek, J., M. Šejna, and M. Th. van Genuchten, The UNSATCHEM Module for HYDRUS (2D/3D) Simulating Two-Dimensional Movement of and Reactions Between Major Ions in Soils, Version 1.0, PC Progress, Prague, Czech Republic, 54 pp., 2012. pdf (1.1MB)
- Šimůnek, J., M. Šejna, and M. Th. van Genuchten, The UNSATCHEM Module for HYDRUS (2D/3D) Simulating Two- and Three-Dimensional Movement of and Reactions Between Major Ions in Soils, Version 2.0, PC Progress, Prague, Czech Republic, 54 pp., 2021. pdf (1.1MB)
二维Unsatchem模块教程
本教程使用沟灌问题来模拟石膏饱和水向钠质土壤的二维入渗。钠质土壤改良的模拟演示了UNSATCHEM模块的阳离子交换功能。在教程的第二部分讨论了基本模拟（首先进行）的几种变体（例如使用不同的灌溉水、溶液组成对水力传导率的影响等）。
- 使用石膏饱和水的沟灌。
- 溶液组成对水力传导率的影响。
- 使用高质量水的沟灌。
- 使用高质量水并假设剖面中存在方解石（瞬时或动力学溶解）的沟灌。
- 使用不同质量水的沟灌。
下载教程文档：Unsatchem教程 (0.7 MB)
下载教程项目：Unsatchem_Tutorial.zip (4.8 MB)
Unsatchem模块近期应用
- Ramos, T. B., H. Darouich, J. Šimůnek, M. C. Gonçalves, and J. C. Martins, Soil salinization in very high-density olive orchards grown in southern Portugal: current risks and possible trends, Agricultural Water Management, 217, 265-281, doi: 10.1016/j.agwat.2019.02.047, 2019. 下载PDF
- Rasouli, F., A. K. Pouya, and J. Šimůnek, Modeling the effects of saline water use in wheat-cultivated lands using the UNSATCHEM model, Irrigation Science, 31(5), 1009-1024, doi:10.1007/s00271-012-0383-8, 2013. 下载PDF
- Ramos, T. B., J. Šimůnek, M. C. Gonçalves, J. C. Martins, A. Prazeres, and L. S. Pereira, Two-dimensional modeling of water and nitrogen fate from sweet sorghum irrigated with fresh and blended saline waters, Agricultural Water Management, 111, 87-104, 2012. 下载PDF
- Ramos, T. B., J. Šimůnek, M. C. Gonçalves, J. C. Martins, A. Prazeres, N. L. Castanheira, and L. S. Pereira, Field evaluation of a multicomponent solute transport model in soils irrigated with saline waters, J. of Hydrology, 407(1-4), 129-144, 2011. 下载PDF
- Gonçalves, M. C., J. Šimůnek, T. B. Ramos, J. C. Martins, M. J. Neves, and F. P. Pires, Multicomponent solute transport in soil lysimeters irrigated with waters of different quality, Water Resour. Res., 42, W08401, doi:10.1029/2006WR004802, 17 pp., 2006. 下载PDF
- Phogat, V., D. Mallants, J. W. Cox, J. Šimůnek, D. P. Oliver, T. Pitt, and P. Petrie, Impact of long-term recycled water irrigation on crop yield and soil chemical properties, Agricultural Water Management, 237, 106167, 14 p., doi: 10.1016/j.agwat.2020.106167, 2020. 下载PDF
- Raij-Hoffman, I., D. Jacques, and N. Lazarovitch, Suction cup system-dependent variable boundary condition: Transient water flow and multicomponent solute transport, Vadose Zone Journal, 19, e20030, p. 13, doi: 10.1002/vzj2.20030, 2020.
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