用PCP-SAFT状态方程估计光滑固体表面上纯液体和混合液体的前进和后退接触角
Aliakbar Roosta1, Sohrab Zendehboudi2, Nima Rezaei1
1Department of Separation Science, School of Engineering Science, LUT University, Lappeenranta, Finland. aliakbar.roosta@lut.fi.
Physical chemistry chemical physics : PCCP
|March 4, 2025
概括
本研究使用PCP-SAFT状态方程估计了液体对固体的前进和后退接触角度. 该模型准确地预测纯液体和混合物的接触角度,验证湿行为.
科学领域:
- 物理化学 物理化学
- 表面科学是一门学科.
- 热力学是一种热力学.
背景情况:
- 接触角度对于理解液体-固体相互作用和湿现象至关重要.
- 准确预测接触角对于各种工业应用是必不可少的.
- 现有的模型可能无法完全捕捉纯净和混合液体湿化的复杂性.
研究的目的:
- 在光滑的固体表面上估计纯净和混合液体的前进和后退接触角度.
- 开发和验证使用PCP-SAFT状态方程预测接触角的模型.
- 调查表面能量和一个alpha参数在湿行为中的作用.
主要方法:
- 使用扰乱链极极统计关联流体理论状态方程 (PCP-SAFT EoS).
- 提出了一个模型,用几何平均值来估计表面能量,用于退缩的接触角度.
- 计算了各种液体的分散与总表面能量的比率.
- 根据104个实验接触角度数据点验证结果.
主要成果:
- 取得了平均绝对相对偏差 (AARD) 7.4%的前进和10.6%的回落接触角度.
- 采用阿尔法参数的拟议模型与实验数据有很好的一致性 (优化AARD:7.2%和10.5%).
- 薄膜表面能量的几何平均近似值在前进和退缩过程中得到了验证.
- 准确预测二元液体混合物的接触角度.
结论:
- PCP-SAFT框架与开发的接触角度模型相结合,可以准确预测湿行为.
- 该模型为纯净和混合液体的前进和后退接触角度提供可靠的估计.
- 这项研究证实了湿模型中表面能量的几何平均方法的有效性.
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