Suppr超能文献

完全一阶和临界楔形填充转变的密度泛函研究。

Density functional study of complete, first-order and critical wedge filling transitions.

机构信息

E. Hála Laboratory of Thermodynamics, Institute of Chemical Process Fundamentals, Academy of Sciences, 16502 Prague 6, Czech Republic.

出版信息

J Phys Condens Matter. 2013 Jul 31;25(30):305005. doi: 10.1088/0953-8984/25/30/305005. Epub 2013 Jul 9.

Abstract

We present numerical studies of complete, first-order and critical wedge filling transitions, at a right angle corner, using a microscopic fundamental measure density functional theory. We consider systems with short-ranged, cut-off Lennard-Jones, fluid-fluid forces and two types of wall-fluid potential: a purely repulsive hard wall and also a long-ranged potential with three different strengths. For each of these systems we first determine the wetting properties occurring at a planar wall, including any wetting transition and the dependence of the contact angle on temperature. The hard wall corner is completely filled by vapour on approaching bulk coexistence and the numerical results for the growth of the meniscus thickness are in excellent agreement with effective Hamiltonian predictions for the critical exponents and amplitudes, at leading and next-to-leading order. In the presence of the attractive wall-fluid interaction, the corresponding planar wall-fluid interface exhibits a first-order wetting transition for each of the interaction strengths considered. In the right angle wedge geometry the two strongest interactions produce first-order filling transitions while for the weakest interaction strength, for which wetting and filling occur closest to the bulk critical point, the filling transition is second-order. For this continuous transition the critical exponent describing the divergence of the meniscus thickness is found to be in good agreement with effective Hamiltonian predictions.

摘要

我们使用微观基本测量密度泛函理论对完全、一级和临界楔形填充转变进行了数值研究,在直角拐角处。我们考虑了具有短程、截止 Lennard-Jones、流体-流体力和两种壁-流体势的系统:纯排斥硬壁和三种不同强度的长程势。对于每个系统,我们首先确定在平面壁处发生的润湿性质,包括任何润湿转变和接触角对温度的依赖性。接近体相共存时,蒸气完全填充硬角,并且毛细厚度增长的数值结果与有效哈密顿量预测的临界指数和振幅非常吻合,在领先和次领先阶次。在存在吸引力壁-流体相互作用的情况下,相应的平面壁-流体界面对于所考虑的每个相互作用强度都表现出一级润湿转变。在直角楔形几何形状中,前两个最强的相互作用产生一级填充转变,而对于最弱的相互作用强度,对于最接近体相临界点的润湿和填充,填充转变是二级的。对于这种连续转变,描述毛细厚度发散的临界指数与有效哈密顿量预测非常吻合。

相似文献

1
Density functional study of complete, first-order and critical wedge filling transitions.
J Phys Condens Matter. 2013 Jul 31;25(30):305005. doi: 10.1088/0953-8984/25/30/305005. Epub 2013 Jul 9.
2
Critical point wedge filling.
Phys Rev Lett. 2013 Apr 19;110(16):166101. doi: 10.1103/PhysRevLett.110.166101. Epub 2013 Apr 17.
3
Influence of intermolecular forces at critical-point wedge filling.
Phys Rev E. 2016 Apr;93:040801. doi: 10.1103/PhysRevE.93.040801. Epub 2016 Apr 19.
4
Filling transitions in acute and open wedges.
Phys Rev E Stat Nonlin Soft Matter Phys. 2015 May;91(5):052401. doi: 10.1103/PhysRevE.91.052401. Epub 2015 May 11.
5
Filling and wetting transitions on sinusoidal substrates: a mean-field study of the Landau-Ginzburg model.
J Phys Condens Matter. 2015 Jan 28;27(3):035101. doi: 10.1088/0953-8984/27/3/035101. Epub 2014 Dec 1.
6
The self-interaction of a fluid interface, the wavevector dependent surface tension and wedge filling.
J Phys Condens Matter. 2011 Jan 12;23(1):015004. doi: 10.1088/0953-8984/23/1/015004. Epub 2010 Nov 26.
7
Critical-point wedge filling and critical-point wetting.
Phys Rev E. 2024 Feb;109(2-1):024802. doi: 10.1103/PhysRevE.109.024802.
8
Condensation and evaporation transitions in deep capillary grooves.
J Phys Condens Matter. 2014 Sep 3;26(35):355003. doi: 10.1088/0953-8984/26/35/355003. Epub 2014 Jul 31.
10
First-order wedge wetting revisited.
Soft Matter. 2018 Apr 18;14(15):2835-2845. doi: 10.1039/c8sm00342d.

文献AI研究员

20分钟写一篇综述,助力文献阅读效率提升50倍。

立即体验

用中文搜PubMed

大模型驱动的PubMed中文搜索引擎

马上搜索

文档翻译

学术文献翻译模型,支持多种主流文档格式。

立即体验