在基于扩展格子模型的分散多相系统中分布过渡的标准
Yiran Li1, Yunfan Huang1, Xukang Lu1
1Department of Engineering Mechanics, Tsinghua University, Beijing 100084, China.
Langmuir : the ACS journal of surfaces and colloids
|November 22, 2023
概括
一个新的晶格模型预测了复杂混合物中的粒子分布,这对于合体稳定性和材料合成至关重要. 该模型准确预测分散系统中的聚合,吸附和提取过程.
科学领域:
- 热力学是一种热力学.
- 体科学 体科学 体科学
- 材料科学 材料科学 材料科学
背景情况:
- 分散的多相系统在生物学,能源和医学中至关重要.
- 粒子分布过渡 (聚合,吸附,提取) 显著影响系统特性,如合稳定性和粒子合成.
研究的目的:
- 为多元组件异型分散系统开发一个一般的热力学模型.
- 建立基于微观相互作用的分布过渡预测标准.
主要方法:
- 提出了一个新的扩展格子模型,基于迈耶的模型.
- 纳入远程相互作用,并考虑在异性质混合物中的接口.
- 使用自由能量差异和最小自由能量原则来推导分布预测的标准.
主要成果:
- 该模型为聚合,吸附和提取过程提供了近似的自由能量差异.
- 为了预测基于粒子间电位的首选分布,我们得出了三个标准.
- 多体消散粒子动力学 (mDPD) 模拟验证了该模型的预测.
结论:
- 扩展格子模型准确地预测了各种分散的多相系统中的分布过渡.
- 衍生出的标准为理解和控制体行为提供了一个强大的工具.
- 该模型显示出在各种科学和工业领域应用的巨大潜力.
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