超软微乳的形成如何影响不同长度尺度下的动力学性质

IF 5.3 2区 化学 Q2 CHEMISTRY, PHYSICAL
F. Malayil Kalathil , M. Plazanet , M.M. Koza , P. Falus , O. Czakkel , P. Fouquet , D. Horinek , C. Alba-Simionesco , I. Hoffmann
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引用次数: 0

摘要

液体分子混合物的纳米级组织对其宏观性质有重大影响,包括增溶性、粘度和运输。尽管分子动力学在传递和反应性建模中很重要,但分子动力学在塑造这些特性中的作用仍然没有得到很好的理解。本研究的重点是三元乙醇-辛醇-水混合物的分子动力学,选择它是因为它在临界点波动、前Ouzo相和Ouzo相之间具有明确的结构,并且组织发生在几纳米的介观尺度上。结合中子散射、核磁共振、流变学和经典分子模拟,我们详细描述了不同成分线和结构域的分子动力学。个体动力学的微妙变化标志着单相中体结构区域的边界,有助于识别所谓的Lifshitz线的动态特征。中子自旋回波实验揭示了分子动力学的集体性质,其中de Gennes窄化效应减缓了纳米结构的富辛醇区域的扩散,并显著减缓了前ouzo区域的液滴扩散。测量最终提供了液滴寿命的特征,估计接近20纳秒。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
How the formation of ultra-soft microemulsions affects dynamical properties at different lengthscales
The nanoscopic organization of liquid molecular mixtures has a major impact on their macroscopic properties, including solubilization, viscosity, and transport. Despite its importance in transport and reactivity modeling, the role of molecular dynamics in shaping these properties is still not well understood. This study focuses into the molecular dynamics of the ternary ethanol-octanol-water mixture, selected for its well-defined structure across critical point fluctuations, pre-Ouzo, and Ouzo phases, with organization occurring on a mesoscopic scale of a few nanometers. Using a combination of Neutron Scattering, NMR, rheology, and classical molecular simulations, we present a detailed description of molecular dynamics across diverse composition lines and structural domains. A subtle shift in individual dynamics marks the boundary of the monophasic meso-structured region, helping to identify the dynamic signature of the so-called Lifshitz line. Neutron Spin-Echo experiments reveal the collective nature of molecular dynamics, with a de Gennes narrowing effect slowing diffusion in the nano-structured octanol-rich region and a dramatic slowdown in droplet diffusion in the pre-Ouzo zone. The measurements eventually provide a characterization of the droplets lifetime, estimated here close to 20 nanoseconds.
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来源期刊
Journal of Molecular Liquids
Journal of Molecular Liquids 化学-物理:原子、分子和化学物理
CiteScore
10.30
自引率
16.70%
发文量
2597
审稿时长
78 days
期刊介绍: The journal includes papers in the following areas: – Simple organic liquids and mixtures – Ionic liquids – Surfactant solutions (including micelles and vesicles) and liquid interfaces – Colloidal solutions and nanoparticles – Thermotropic and lyotropic liquid crystals – Ferrofluids – Water, aqueous solutions and other hydrogen-bonded liquids – Lubricants, polymer solutions and melts – Molten metals and salts – Phase transitions and critical phenomena in liquids and confined fluids – Self assembly in complex liquids.– Biomolecules in solution The emphasis is on the molecular (or microscopic) understanding of particular liquids or liquid systems, especially concerning structure, dynamics and intermolecular forces. The experimental techniques used may include: – Conventional spectroscopy (mid-IR and far-IR, Raman, NMR, etc.) – Non-linear optics and time resolved spectroscopy (psec, fsec, asec, ISRS, etc.) – Light scattering (Rayleigh, Brillouin, PCS, etc.) – Dielectric relaxation – X-ray and neutron scattering and diffraction. Experimental studies, computer simulations (MD or MC) and analytical theory will be considered for publication; papers just reporting experimental results that do not contribute to the understanding of the fundamentals of molecular and ionic liquids will not be accepted. Only papers of a non-routine nature and advancing the field will be considered for publication.
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