Thermodynamics of Aqueous Borate Solutions in Natural Water Modeling

在控制某些药物制剂的pH值和天然水的缓冲能力方面，以及在温度范围为5至90摄氏度、离子强度范围为每公斤0.01至6.0摩尔的卤水、海洋和海水中的生物和地球化学过程中，硼酸-硼酸盐体系是重要的。这项研究的主要目的是(A)应用精确的电动势方法(无液结)、等压和密度测量技术来研究盐对海水中涉及硼酸的电离平衡的影响；(B)为水相离子体系提供准确的热力学平衡数据。(C)在自然水模拟中利用完整的Pitzer公式；(D)为多组分电解液开发一致的离子相互作用模型；(E)用改进的方法更新和扩展电解液理论，从而对天然水和环境有新的见解。将利用一种创新的实验方法。这一方法与天然水中微量的硼酸与不同碱土和过渡金属阳离子的离子对形成常数有关。这些新的实验数据将有助于卤水中的地球化学计算和天然水的模拟。该项目的独特之处将是开发新的化学技术和应用电解液热力学，以应对海洋科学问题和具有社会意义的需要。碳酸氢盐离子和含硼水溶液的平衡热力学在许多其他工程和地质情况中也具有很大的实用价值：清水完井液；锅炉水化学；化学海洋学；矿物溶解度；地球化学卤水的反应模拟计算；水的形态和矿物饱和度指数；地下水系统的地球化学模型的建立；水的淡化；湿法冶金；作为加压核反应堆冷却剂中的一种可溶解和可燃烧的中子毒物；地热能；酸碱度标准；油(焦油)砂和提高石油采收率。

The boric acid-borate system is important in the control of pH for certain medicinal preparations and the buffering capacity of natural waters, as well as in bio- and geo-chemical processes in brines, ocean, and sea-waters in the temperature range 5 to 90 degrees centigrade, and in the ionic strength range of 0.01 to 6.0 mols per kilogram. The main objectives of this study are (a) to apply the precise electromotive force method (without liquid junction), isopiestic, and densimetric techniques to investigate the effects of salts on ionization equilibria involving boric acid in sea water; (b) to provide accurate thermodynamic equilibrium data for aqueous ionic systems,. e.g., involving Ba, Sr, Ca, Mg, Zn, Mn, Co, Ni, and Fe; (c) to utilize the full Pitzer's formalism in natural water modeling; (d) to develop consistent ionic interaction models for multicomponent electrolyte solutions; and (e) to update and extend electrolyte theory with refined methods leading to new insights into natural waters and the environment. An innovative experimental approach will be utilized. This approach is related to ion-pair formation constants of boric acid with different alkaline earth and transition metallic cations found in trace quantities in natural waters. These new experimental data will assist in geochemical calculations in brines and natural water modeling. The uniqueness of the project would be the development of new chemical technology and the application of electrolyte thermodynamics in response to the problems of marine science and needs of social significance. Equilibrium thermodynamics of bicarbonate ion-and boron-containing aqueous solutions are also of great practical interest in a number of other engineering and geological situations: clear brine completion fluids; boiler water chemistry; chemical oceanography; mineral solubility; reaction modeling calculations of geochemical brines; aqueous speciation and mineral saturation index; the development of geochemical models for groundwater systems; water desalination; hydrometallurgy; as a soluble and burnable neutron poison in the coolants of pressurized nuclear reactors; geothermal energy; pH standards; oil (tar) sands, and enhanced oil recovery.