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Practical use of statistical learning theory for modeling freezing point depression of electrolyte solutions: LSSVM model

机译:统计学习理论在电解质溶液凝固点降低建模中的实际应用:LSSVM模型

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摘要

Electrolyte solutions are mixtures comprising a substance with the capability of forming strong associating bonding interactions between molecules. Hence, the predictions of van der Waals based equations of state for properties of these systems are poor. In these cases, employment of an equation of state (EoS) combined with the association term from the statistical associating fluid theory (SAFT) has been recommended in the literature. In this communication, a robust type of learning method developed based on statistical learning theory namely least squares support vector machine (LSSVM) has been employed for calculating the freezing point depression (FPD) of different electrolyte solutions. The predictions of the developed model are compared to the results of cubic-plus-association (CPA) EoS combined with the Debye-Huckel electrostatic term. It is found that the proposed smart technique gives more accurate estimations than CPA EoS that enjoys SAFT for the association part.
机译:电解质溶液是包含一种物质的混合物,该物质具有在分子之间形成强缔合键相互作用的能力。因此,对于这些系统的性质,基于范德华力的状态方程的预测很差。在这些情况下,在文献中建议采用状态方程(EoS)和统计关联流体理论(SAFT)的关联项。在这种交流中,已经采用了一种基于统计学习理论开发的健壮类型的学习方法,即最小二乘支持向量机(LSSVM),用于计算不同电解质溶液的凝固点降低(FPD)。将开发模型的预测与立方加缔合(CPA)EoS结合Debye-Huckel静电项的结果进行比较。发现所提出的智能技术比对关联部分享有SAFT的CPA EoS给出了更准确的估计。

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