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Scaling Potential Index (SPI) for CaCO_3 Based on Gibbs Free Energies

机译:基于吉布斯自由能的CaCO_3尺度势指数(SPI)

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A new index (SPI) incorporating the theoretical thermodynamic relationships relating the equilibrium and solubility constants to the Gibbs free energy of reactions is obtained for assessing the scaling potential of carbonate system.Also inclusion of activity and specific ion interactive forces extends the applicability of the SPI over a wide salinity ranges and in presence of other cations and onions that is usually encountered in brackish water and sea water reverse osmosis desalination units,in concentrate management,and in differentiating between reverse osmosis and nanofiltration modules that have different passages for mono-valent and di-valent ions.Some of the industrially used empirical indices for prediction CaCO3 scaling potential are reviewed and their shortcomings are discussed.The theoretically calculated results for SPI have been compared and validated with experimental values and with other commonly and industrially used indices.The results show that SPI is a better predictive approach.This method could be easily extended to take into account the pressure effects in membrane units.Furthermore,the same principle could be applied and the procedure could easily be extended to other salts.This index is a measure of the scaling potential and provides a conservative measure.Use of Gibbs free energy not only provides a theoretical means for assessing the scaling potential but also will enable future incorporation of the interactive and solvent effects in determining the solubility constants which could become readily possible with the advances in computational chemistry and incorporation of the kinetic and hydrody-namic effects in the future studies from the first principles.
机译:获得了一种新的指数(SPI),该指数结合了将平衡和溶解度常数与反应的吉布斯自由能相关的理论热力学关系,用于评估碳酸盐体系的结垢潜力。此外,活性和比离子相互作用力的引入还扩展了SPI的适用性在很宽的盐度范围内,并且在咸水和海水反渗透淡化装置中通常遇到的其他阳离子和洋葱存在下,在精矿管理中,以及在反渗透和纳滤模块之间有所区别,这些模块对单价和反渗透具有不同的通道回顾了一些工业上用于预测CaCO3结垢潜力的经验指标,并讨论了它们的不足之处,对SPI的理论计算结果进行了比较,并与实验值以及其他常用和工业上使用的指标进行了验证。表明SPI是更好的前提该方法可以很容易地扩展以考虑到膜单元中的压力影响。此外,可以应用相同的原理,并且该程序可以轻松地扩展到其他盐类。该指标是衡量结垢潜力的指标,并提供吉布斯自由能的使用不仅为评估结垢潜力提供了理论手段,而且还将使将来结合相互作用和溶剂效应来确定溶解度常数成为可能,随着计算化学方法和结合技术的发展,这些常数很可能成为可能。第一原理在未来的研究中对动力学和水动力学的影响

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