Riley Vickers, Timothy M Weigand, Orlando Coronell, Cass T Miller
{"title":"Water transport mechanisms during pressure-driven transport through polyamide nanogaps.","authors":"Riley Vickers, Timothy M Weigand, Orlando Coronell, Cass T Miller","doi":"10.1063/5.0248257","DOIUrl":null,"url":null,"abstract":"<p><p>Molecular-scale simulations of pressure-driven transport through polyamide nanogaps (5-100 Å) were performed to investigate fundamental transport mechanisms. Results show that transport in nanogaps <math><mo>≤</mo></math> 10 Å is always subdiffusive, but superdiffusive transport was observed in nanogaps <math><mo>≥</mo></math> 20 Å. Near typical operating pressures for applications ( <math><mrow><mo>Δ</mo> <mi>p</mi></mrow> </math> = 100 atm), only the 100 Å nanogap exhibited superdiffusive behavior. Since openings in common membrane materials are typically <20 Å, results indicate that subdiffusive to diffusive transport dominates for typical applications, such as reverse osmosis.</p>","PeriodicalId":20066,"journal":{"name":"Physics of Fluids","volume":"37 1","pages":"012020"},"PeriodicalIF":4.1000,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11726587/pdf/","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Physics of Fluids","FirstCategoryId":"5","ListUrlMain":"https://doi.org/10.1063/5.0248257","RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2025/1/10 0:00:00","PubModel":"Epub","JCR":"Q1","JCRName":"MECHANICS","Score":null,"Total":0}
引用次数: 0
Abstract
Molecular-scale simulations of pressure-driven transport through polyamide nanogaps (5-100 Å) were performed to investigate fundamental transport mechanisms. Results show that transport in nanogaps 10 Å is always subdiffusive, but superdiffusive transport was observed in nanogaps 20 Å. Near typical operating pressures for applications ( = 100 atm), only the 100 Å nanogap exhibited superdiffusive behavior. Since openings in common membrane materials are typically <20 Å, results indicate that subdiffusive to diffusive transport dominates for typical applications, such as reverse osmosis.
对聚酰胺纳米间隙(5-100 Å)的压力驱动传输进行了分子尺度模拟,以研究基本传输机制。结果表明,≤ 10 Å 的纳米间隙中的传输始终是亚扩散的,但在≥ 20 Å 的纳米间隙中观察到了超扩散传输。在应用的典型工作压力附近(Δ p = 100 atm),只有 100 Å 的纳米间隙表现出超扩散行为。由于普通膜材料的开口通常为
期刊介绍:
Physics of Fluids (PoF) is a preeminent journal devoted to publishing original theoretical, computational, and experimental contributions to the understanding of the dynamics of gases, liquids, and complex or multiphase fluids. Topics published in PoF are diverse and reflect the most important subjects in fluid dynamics, including, but not limited to:
-Acoustics
-Aerospace and aeronautical flow
-Astrophysical flow
-Biofluid mechanics
-Cavitation and cavitating flows
-Combustion flows
-Complex fluids
-Compressible flow
-Computational fluid dynamics
-Contact lines
-Continuum mechanics
-Convection
-Cryogenic flow
-Droplets
-Electrical and magnetic effects in fluid flow
-Foam, bubble, and film mechanics
-Flow control
-Flow instability and transition
-Flow orientation and anisotropy
-Flows with other transport phenomena
-Flows with complex boundary conditions
-Flow visualization
-Fluid mechanics
-Fluid physical properties
-Fluid–structure interactions
-Free surface flows
-Geophysical flow
-Interfacial flow
-Knudsen flow
-Laminar flow
-Liquid crystals
-Mathematics of fluids
-Micro- and nanofluid mechanics
-Mixing
-Molecular theory
-Nanofluidics
-Particulate, multiphase, and granular flow
-Processing flows
-Relativistic fluid mechanics
-Rotating flows
-Shock wave phenomena
-Soft matter
-Stratified flows
-Supercritical fluids
-Superfluidity
-Thermodynamics of flow systems
-Transonic flow
-Turbulent flow
-Viscous and non-Newtonian flow
-Viscoelasticity
-Vortex dynamics
-Waves