Solubility of molecular and ionic precursors in ionic liquids

分子和离子前体在离子液体中的溶解度

• 批准号: 375731409
• 负责人: Privatdozent Dr.-Ing. Christoph Held
• 金额: --
• 依托单位: Lehrstuhl für Allgemeine Physikalische Chemie
• 依托单位国家: 德国
• 项目类别: Priority Programmes
• 财政年份: 2017
• 资助国家: 德国
• 起止时间: 2016-12-31 至 2020-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/375731409?language=en
• 关键词: Solubility; molecular; ionic; precursors; liquids

The success of ionothermal synthesis is crucially dependent on the creative choice of suitable precursors. The main goal of this project is the development of general thermodynamic procedure based on the predictive equation of state electrolyte PC-SAFT (ePC-SAFT). A model strategy will be developed and applied that allows predicting solubility of liquid or solid precursors in ionic liquids (ILs) used as suitable solvents for the ionothermal synthesis. As the solid precursors we consider inorganic salts, closely related to and motivated by the synthesis of metal nanoparticles in ILs. As the liquid precursors the homologous series of organic compounds (alkanes, alkenes, aromatics, alcohols, ethers, esters) will be studied. Development and parametrization of ePC-SAFT will be performed by using reliable experimental data from literature and new data as well. In this context, the subsidiary goal of this project will be the extended experimental study of thermodynamic properties of pure ILs and precursors, as well as properties of their binary mixtures in order to provide reliable input data sets required for the model development and validation. This will allow model predictions in order to reliably screen ILs as synthesis medium for solid and liquid precursors. In order to propagate application of thermodynamic parameters obtained from binary mixtures precursor-IL to multi-component systems, an additional validation of the model will be performed by the experimental and theoretical study of two reactive systems. These systems are composed of the reaction participants as well as the solvent (also ILs). The establishment of thermodynamic results in the systems precursor/IL will allow developing of a general scale of solubility parameters, with the purpose of predicting the performance and to guide the selection of ILs for ionothermal synthesis and their use on reactive systems. This scale has huge potential to be extended and improved for application to a broad scope of molecular and ionic precursors.

离子热合成的成功关键取决于合适前体的创造性选择。该项目的主要目标是开发基于状态电解质 PC-SAFT (ePC-SAFT) 预测方程的通用热力学程序。将开发和应用模型策略，以预测液体或固体前体在离子液体（IL）中的溶解度，离子液体（IL）用作离子热合成的合适溶剂。作为固体前体，我们考虑无机盐，它与离子液体中金属纳米粒子的合成密切相关并受其推动。作为液体前体，将研究有机化合物的同系物（烷烃、烯烃、芳烃、醇、醚、酯）。 ePC-SAFT 的开发和参数化将通过使用来自文献和新数据的可靠实验数据来进行。在这种情况下，该项目的次要目标将是对纯离子液体和前体的热力学性质及其二元混合物的性质进行扩展实验研究，以便为模型开发和验证提供可靠的输入数据集。这将允许模型预测，以便可靠地筛选IL作为固体和液体前体的合成介质。为了将从二元混合物前体-IL获得的热力学参数推广到多组分系统中的应用，将通过两个反应系统的实验和理论研究对模型进行额外的验证。这些系统由反应参与者和溶剂（也称为离子液体）组成。系统前体/离子液体中热力学结果的建立将允许开发溶解度参数的一般范围，目的是预测性能并指导离子热合成离子液体的选择及其在反应系统中的使用。这种规模具有巨大的扩展和改进潜力，可应用于广泛的分子和离子前体。