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Thermodynamics and phase equilibria in the complex acid mine drainage systems

复杂酸性矿山排水系统的热力学和相平衡

基本信息

批准号：
279047113
负责人：
Professor Dr. Juraj Majzlan, Ph.D.
金额：
--
依托单位：
Fachbereich für Biowissenschaften
依托单位国家：
德国
项目类别：
Research Grants
财政年份：
2015
资助国家：
德国
起止时间：
2014-12-31 至 2019-12-31
项目状态：
已结题

来源：
https://gepris.dfg.de/gepris/projekt/279047113?language=en
关键词：
Thermodynamics phase equilibria complex acid

项目摘要

Here I propose to study thermodynamics and phase equilibria in the complex systems relevant to acid mine drainage, a common and widespread environmental problem. The systems to study and the minerals of interest for this project are K2O-MgO-FeO-ZnO-Fe2O3-Al2O3-SO3-H2O and the voltaite-group of minerals; MgO-Fe2O3-SO3-H2O and the minerals magnesiocopiapite and botryogen; Fe2O3-SO3-H2O and the minerals ferricopiapite, paracoquimbite, lausenite, kornelite, rhomboclase, and the phase (H3O)Fe(SO4)2. The thermodynamic properties of these phases will be determined by calorimetric experiments: enthalpies of formation by acid-solution calorimetry and heat capacities and entropies by relaxation calorimetry. The phase equilibria will be studied by charge experiments, i.e., the chemical and crystallographic investigation of coexisting liquids and solids, respectively. In this work, the equilibrium will be reached from both supersaturation and undersaturation, thus crosschecking the reliability of the solubility data. The acquired data for rhomboclase and the phase (H3O)Fe(SO4)2 will be optimized by mathematical programming, an approach that critically assesses available thermodynamic data and phase equilibria. The results of the calorimetric and charge experiments for the system Fe2O3-SO3-H2O will be critically compared using an extended Pitzer-model for concentrated Fe(III)-SO4 solutions (Tosca et al. 2007). In the system MgO-Fe2O3-SO3-H2O, we will perform forward simulations to explore the paths of evaporating Mg-Fe(III)-SO4 solutions and determine the conditions under which the different minerals form (thermodynamic modeling). For all systems, we will construct activity-activity diagrams and compare the results to the observations in nature.

在这里，我建议研究与酸性矿井排水有关的复杂系统的热力学和相平衡，这是一个普遍存在的环境问题。本项目研究的体系和感兴趣的矿物是K2O-MgO-FeO-ZnO-Fe2O3-Al2O3-SO3-H2O和伏特矿群；MgO-Fe2O3-SO3-H2O与镁铁矿、硼酸盐矿物；Fe2O3-SO3-H2O和矿物铁辉石、副斑铜矿、钙长石、角长石、菱形长石，以及相（h30）Fe(SO4)2。这些相的热力学性质将通过量热实验来确定：酸溶液量热法的生成焓和弛豫量热法的热容和熵。相平衡将通过电荷实验来研究，即分别对共存的液体和固体进行化学和晶体学研究。在这项工作中，将从过饱和和欠饱和两方面达到平衡，从而交叉检查溶解度数据的可靠性。获得的菱形长石和相（h30o）Fe(SO4)2的数据将通过数学规划进行优化，这是一种严格评估可用热力学数据和相平衡的方法。Fe2O3-SO3-H2O系统的量热和电荷实验结果将使用浓缩Fe(III)-SO4溶液的扩展pitzer模型进行严格比较（Tosca et al. 2007）。在MgO-Fe2O3-SO3-H2O体系中，我们将进行正演模拟，探索Mg-Fe(III)-SO4溶液的蒸发路径，并确定不同矿物形成的条件（热力学建模）。对于所有系统，我们将构建活动-活动图，并将结果与自然界的观察结果进行比较。