Speciation, structure and hydration of solutes under hydrothermal conditions

水热条件下溶质的形态、结构和水合

• 批准号: RGPIN-2017-05894
• 负责人: Tremaine, Peter
• 金额: $ 3.28万
• 依托单位: University of Guelph
• 依托单位国家: 加拿大
• 项目类别: Discovery Grants Program - Individual
• 财政年份: 2020
• 资助国家: 加拿大
• 起止时间: 2020-01-01 至 2021-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=711851
• 关键词: Speciation; structure; hydration; solutes; under

Many geological and industrial processes take place at conditions far beyond the range of conventional room temperature measurements. The objective of this proposal is to develop the knowledge base and theoretical understanding needed to describe the behaviour of aqueous systems at extremes of temperature and pressure encountered in electrical power stations, advanced nuclear reactors, geothermal ore bodies, deep-ocean hydrothermal vents, and the capture and sequestration of CO2. Sensitive flow calorimeters and densitometers, constructed of inert materials to withstand the corrosive conditions, will be used to determine the thermodynamic properties of simple electrolytes and organic molecules in liquid water at temperatures up to 400 oC and pressures as high as 350 atmospheres, to examine the effects of ionic charge and organic functional groups under conditions approaching the critical point of water. The form of the chemical species, and their equilibrium constants, will be determined by in situ measurements in novel high temperature, high pressure flow cells using UV-visible spectroscopy, Raman spectroscopy, calorimetry, densimetry and a one-of-a-kind, high-precision conductance apparatus, all capable of reaching sub-critical or supercritical conditions. These measurements will yield new insights into the fundamental nature of solute hydration, and solute-solute interactions. The project will also yield thermodynamic data, transport properties, semi-empirical models, and theoretical methods for predicting the properties and phase behaviour of aqueous inorganic and organic solutes in water-based geothermal systems and advanced industrial technologies that operate under extremes of temperature and pressure. The program will focus on three areas: (i) basic research to understand the role of speciation and ion-ion interactions on the vapour-liquid critical locus and the lower critical solution temperature of electrolyte solutions above 250 oC; (ii) the thermodynamics and phase behaviour of CO2 and (CO2 + amine) solutions at intermediate and high temperatures relevant to carbon capture and geological sequestration; and (iii) the thermodynamic and kinetic stability of pre-biotic molecules required to model postulated mechanisms for the hydrothermal origin of life. The novelty in the work lies in the very extreme conditions being studied, the potential for identifying unusual effects, and the need to develop specialized instrumental techniques to obtain quantitative data for complex aqueous systems under these very aggressive conditions.

许多地质和工业过程发生在远远超出传统室温测量范围的条件下。 该提案的目的是发展知识库和理论理解，以描述在电力站，高级核反应堆，地热矿体，深ocean热液水热通风口以及二氧化碳的捕获和序列的电力站，高级核反应堆，地热矿体，深态水热通风口以及CO2的捕获和序列中所遇到的水性系统的行为。 由惰性材料构成以承受腐蚀性条件的敏感流量量热计和光密度计，将用于确定在高达400 oC的液体水中简单电解质和有机分子在400 oC中的热力学特性，并在高达350个大气层的压力下检查离子电荷和有机功能的效果。化学物种及其平衡常数的形式将由新型的高温，高压流动细胞进行原位测量，使用紫外可见的光谱，拉曼光谱，量热法，量热法，量化和独一无二的高精度电导仪，所有能够达到亚基角度或超级策略的高度或超级策略的条件。 这些测量结果将产生有关溶质水合的基本性质以及溶质 - 溶剂相互作用的新见解。该项目还将产生热力学数据，传输性能，半经验模型以及预测水基地热系统中水性和有机溶质的性质和相行为，以及在温度和压力极端下运行的晚期工业技术。 该计划将重点关注三个领域：（i）基础研究，以了解蒸气 - 液体临界基因座的物种和离子离子相互作用的作用，以及高于250 OC的电解质溶液的较低关键溶液温度； （ii）与碳捕获和地质隔离相关的中等和高温下，二氧化碳和（CO2 +胺）溶液的热力学和相行为； （iii）为假定的生命原始起源模拟假定的机制所需的益生元分子的热力学和动力学稳定性。 工作中的新颖性在于所研究的非常极端的条件，识别异常影响的潜力以及在这些非常激进的条件下开发专门的仪器技术以获取复杂水系统的定量数据。