A database of dissolution and precipitation rates for clay-rocks minerals
A database of dissolution and precipitation rates for clay-rocks minerals
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DOI：
10.1016/j.apgeochem.2014.10.012
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发表时间：
2015-04-01
影响因子：
3.4
通讯作者：
Tournassat, Christophe
中科院分区：
文献类型：
--
作者：
Marty, Nicolas C. M.;Claret, Francis;Tournassat, Christophe
许多地球科学领域使用反应传输代码来设置和解释实验以及理解自然过程。反应性运输代码还有助于深入了解放射性废物储存库或二氧化碳储存场所等系统的长期演化，因为这些系统的实验无法达到目标时间尺度或系统尺寸。为了正确再现感兴趣的地球化学和传输过程，通常需要考虑动力学反应速率。然而，动力学数据分散在文献中，使得数据和选择成为一项繁琐的任务。单个系统的动力学参数也根据数据选择、解释和所选择的动力学建模方法而变化很大，因此使得建模研究的相互比较变得困难。目前的工作旨在提出动力学参数的汇编来克服上述部分问题。所提出的选择是为了 (i) 确保数据选择标准和数据处理的一致性，以及 (ii) 方便使用独立于所选地球化学建模代码的常见动力学参数。出于这两个原因，选择了过渡态理论（TST）的动力学形式。目前矿物的选择仅限于富含粘土的岩石和水泥中存在的矿物，这反映了在预测放射性废物地下储存系统的演变方面所做的努力。尽管如此，拟议的汇编对于二氧化碳封存等其他应用也应该有用。 (C) 2014 Elsevier Ltd. 保留所有权利。
Many geoscientific fields use reactive transport codes to set up and interpret experiments as well as to understand natural processes. Reactive transport codes are also useful to give insights in the long term evolution of systems such as radioactive waste repositories or CO2 storage sites, for which experiments cannot reach the targeted time scale nor the dimension of those systems. The consideration of kinetic reaction rates is often required to reproduce correctly the geochemical and transport processes of interest. However, kinetic data are scattered in the literature, making data and selection a tedious task. Kinetic parameters on a single system are also highly variable depending on data choice, interpretation and chosen kinetic modelling approaches, thus making inter-comparison of modelling studies difficult. The present work aims at proposing a compilation of kinetic parameters to overcome part of above cited problems. The proposed selection was done (i) to ensure consistency of data selection criteria and data treatment and (ii) to ease the use of common kinetic parameters that are independent of the chosen geochemical modelling code. For those two reasons, the kinetic formalism of the transition state theory (TST) was chosen. The selection of minerals is currently limited to those present in clay rich rocks and cements, reflecting the effort made at predicting the evolution of radioactive waste underground storage systems. Still, the proposed compilation should also be useful for other applications such as CO2 sequestration. (C) 2014 Elsevier Ltd. All rights reserved.