Thermodynamics of Aqueous Borate Solutions in Natural Water Modeling

硼酸-硼酸盐体系在控制某些药物制剂的pH值和天然水的缓冲能力方面，以及在温度为5至90摄氏度的盐水、海洋和海水中的生物和地球化学过程中，以及在离子强度为0.01至6.0 mol / kg的范围内，都是重要的。本研究的主要目的是：(a)应用精确电动势法（无液结）、等静力学和密度学技术研究盐对含硼酸的海水电离平衡的影响；(b)为水离子体系提供精确的热力学平衡数据。例如，涉及Ba、Sr、Ca、Mg、Zn、Mn、Co、Ni和Fe；(c)在天然水模型中充分利用Pitzer的形式主义；(d)为多组分电解质溶液建立一致的离子相互作用模型；(e)以改进的方法更新和扩展电解质理论，从而对自然水和环境产生新的见解。将采用一种创新的实验方法。这种方法与硼酸与不同碱土和天然水中痕量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盐水和天然水模型的地球化学计算。该项目的独特之处在于针对海洋科学问题和具有社会意义的需求，开发新的化学技术和应用电解质热力学。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下也有很大的实际意义：清澈的盐水完井液；锅炉水化学；化学海洋学;矿物的溶解性;地球化学盐水的反应模拟计算；水相形态和矿物饱和度指数；地下水系统地球化学模型的建立；海水淡化;湿法冶金术;作为一种可溶可燃的中子毒物存在于核反应堆的冷却剂中；地热能;pH值 标准;油（焦油）砂，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.