Abstract In this study, a vapor pressure-based model is applied to predict the flash points of binary partially miscible aqueous-organic mixtures including 1-butanol-water, 2-butanol-water, isobutanol-water, and 1-pentanol-water. The high non-ideality of these systems is taken into account by cubic-plus-association equation of state using two known combining rules in association energy term, Elliot combining rule (ECR) and CR-1 combining rule. The model by ECR was utilized to totally miscible aqueous-organic in literature, while this study also examines CR-1 combining rule in predicting the flash point of these mixtures. The obtained results by ECR are much more accurate than CR-1 ones for all studied mixtures. Moreover, the average absolute deviation and root mean square deviation of ECR results are less than 1 K and 1.18 K, respectively, for all studied mixtures, which indicates that the predictive model can accurately predict the flash point of these systems at the studied composition ranges.

中文翻译：

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通过立方加缔合 (CPA) 状态方程预测二元完全混溶和部分混溶的水-醇混合物的闪点

摘要 在这项研究中，基于蒸汽压的模型被用于预测二元部分混溶的水-有机混合物的闪点，包括 1-丁醇-水、2-丁醇-水、异丁醇-水和 1-戊醇-水。这些系统的高度非理想性通过使用联合能量项中的两个已知组合规则，Elliot 组合规则 (ECR) 和 CR-1 组合规则的三次加关联状态方程来考虑。ECR 模型在文献中被用于完全混溶的水-有机物，而本研究还检验了 CR-1 结合规则来预测这些混合物的闪点。对于所有研究的混合物，ECR 获得的结果比 CR-1 的结果准确得多。此外，ECR结果的平均绝对偏差和均方根偏差分别小于1 K和1.18 K，