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非溶性和溶性表面上蒸发液滴的行为:分子分辨率建模

Behavior of evaporating droplets at nonsoluble and soluble surfaces: Modeling with molecular resolution.

作者信息

Cordeiro Rodrigo M, Pakula Tadeusz

机构信息

Max Planck Institute for Polymer Research, Ackermannweg 10, D-55128 Mainz, Germany.

出版信息

J Phys Chem B. 2005 Mar 10;109(9):4152-61. doi: 10.1021/jp045329b.

Abstract

Liquid droplets in equilibrium with vapor are simulated at solidlike surfaces using the cooperative motion algorithm (CMA). These droplets behave like real droplets, i.e., the densities of the coexistent liquid and vapor phases obey empirical relations such as rho l - rho v proportional, variant (1 - T/Tc)(1/3). Droplet evaporation was studied under various interaction conditions, i.e., nonsoluble and soluble substrates. In the last case, substrate particles migrate toward the liquid-vapor interface to minimize the droplet surface energy. This leads to the formation of a microwell surrounded by a ringlike deposit on the substrate surface. It is shown that the ring formation in the first stages of evaporation results in pinning of the droplet contact area.

摘要

使用协同运动算法(CMA)在类固体表面模拟与蒸汽处于平衡状态的液滴。这些液滴的行为类似于真实液滴,即共存液相和气相的密度服从经验关系,如ρl - ρv ∝ (1 - T/Tc)^(1/3) 。在各种相互作用条件下,即不溶性和可溶性底物条件下研究了液滴蒸发。在后一种情况下,底物颗粒向液 - 气界面迁移以最小化液滴表面能。这导致在底物表面形成一个被环状沉积物包围的微孔。结果表明,蒸发第一阶段的环状物形成导致液滴接触面积固定。

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