Gas-Nanoparticle Scattering: A Molecular View of Momentum Accommodation Function

Li, Zhi Gang; Wang, Shuangfeng

doi:10.1103/physrevlett.95.014502

Cited by 73 publications

(44 citation statements)

References 22 publications

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“…The formation of the clear molecular layers is caused by the strong fluid-wall interaction. 4,5,[7][8][9][10][11][12] Furthermore, the temperature gradient in the channel [ Fig. 4(b)] also generates density variation in the x direction.…”

Section: Resultsmentioning

confidence: 99%

“…It may also bring about fluid adsorption and lead to different phenomena. [4][5][6][7][8] Therefore, surface properties or fluid-surface interactions impose major challenges to nanofluidics. In nanoscale flow systems, surface effects can greatly affect the transport of fluids, which is an important issue for the miniaturization of fluidic systems.…”

Section: Introductionmentioning

confidence: 99%

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Fluid transport in nanochannels induced by temperature gradients

Liu

Ya²,

Li³

2012

The Journal of Chemical Physics

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We investigate the mechanisms of fluid transport driven by temperature gradients in nanochannels through molecular dynamics simulations. It is found that the fluid-wall interaction is critical in determining the flow direction. In channels of very low surface energy, where the fluid-wall binding energy ε fw is small, the fluid moves from high to low temperature and the flow is induced by a potential ratchet near the wall. In high surface energy channels, however, the fluid is pumped from low to high temperature and the pressure drop caused by the temperature gradient is the major driving force. In addition, as the fluid-wall interaction is strengthened, the flow flux assumes a maximum, where ε fw is close to the lower temperature T L of the channel and ε fw /kT L ≈ 1 is roughly satisfied.

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Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Fluid transport in nanochannels induced by temperature gradients

Liu

Ya²,

Li³

2012

The Journal of Chemical Physics

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“…Fluid adsorption on solid surfaces is generally determined by the ratio of fluid-wall binding energy to temperature, " fw =kT [17][18][19][20][21][22]. This ratio expresses the competition between the fluid-wall binding strength and the kinetic energy of the fluid.…”

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confidence: 99%

Molecular Dynamics Simulation of Composite Nanochannels as Nanopumps Driven by Symmetric Temperature Gradients

Liu

2010

Phys. Rev. Lett.

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In this Letter, we propose a composite nanochannel system, where half of the channel is of low surface energy, while the other half has a relatively high surface energy. Molecular dynamics simulations show that fluids in such channels can be continuously driven by a symmetric temperature gradient. In the low surface energy part, the fluid moves from high to low temperature, while the fluid migrates from low to high temperature in the high surface energy part. The mechanisms that govern the flow are explained and the conditions required to guarantee the flow and the possible applications are discussed. DOI: 10.1103/PhysRevLett.105.174501 PACS numbers: 47.61.Àk Liquid transport in micro-or nanochannels is of great importance in many applications, including biomolecule separation, energy conversion, and thermal management [1][2][3][4]. Mechanical, electrokinetic, and acoustic approaches can be used to drive the fluid through the channel [4][5][6][7][8].The fluid can also be circulated by heterogeneous forces caused by a surface tension, chemical, or temperature gradient [1,[9][10][11]. However, in certain applications, these gradients can be symmetric and the total net force on the fluid vanishes. In this case, the fluid cannot be constantly transported without external forces. Inspired by our recent work on the flow regimes in nanochannels [12], here we propose a composite nanochannel system, where half of the channel has low and the other half has relatively high surface energy, as will be explained later. Through molecular dynamics simulations, it is shown that liquids in such channels can be continuously pumped by a symmetric temperature gradient along the channel. One advantage of this system is the application for chip-level cooling, where the heat generated in the chip can be used to drive the liquid without using external pumps, which consume energy, occupy space, and therefore conflict with the miniaturization objectives of next generation electronic devices.The composite nanochannel system is illustrated in Fig. 1. The channel is formed by two parallel walls. A liquid (green particles), which is in connection with two reservoirs, is confined by the walls. For the convenience of numerical simulation, the same structure and potential are used for the walls. The composite channel is defined in terms of the surface energy or fluid-wall interaction, which is heterogeneous and realized by controlling the fluid-wall binding energy " fw . The binding energy between the fluid and left half of the wall (orange) " fwðLÞ is weak (low surface energy) and that between the fluid and right half of the wall (gray) " fwðRÞ is strong (high surface energy). The low or high surface energy represents different types of molecular interactions. For low surface energy, the fluid-wall interaction is weak and mainly repulsive, while both repulsive and attractive interactions are strong for high surface energy.The channel walls are constructed by truncating a rectangular portion from a face-centered cubic structure with a lattic...

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“…From the knowledge of gas-nanoparticle scattering, it may be speculated that for long-chain aliphatic molecules qo is close to unity [5].…”

Section: Transport Theory Of Long Chain Molecules In Dilute Gasesmentioning

confidence: 99%

Development of a Comprehensive and Predictive Reaction Mechanism of Liquid Hydrocarbon Combustion

Wang¹

2007

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Public reporting burden for this collection of information is estimated to average 1 hour per response, including the time for reviewing instructions, searching existing data sources, gathering and maintaining the data needed, and completing and reviewing this collection of information. Send comments regarding this burden estimate or any other aspect of this collection of information, including suggestions for reducing this burden to Department of Defense, Washington Headquarters Services, Directorate for Information Operations and Reports (0704-0188), 1215 Jefferson Davis Highway, Suite 1204, Arlington, VA 22202-4302. Respondents should be aware that notwithstanding any other provision of law, no person shall be subject to any penalty for failing to comply with a collection of information if it does not display a currently valid OMB control number. PLEASE DO NOT RETURN YOUR FORM TO THE ABOVE ADDRESS. REPORT DATE (DD-MM-YYYY)2 SPONSORING / MONITORING AGENCY NAME(S) AND ADDRESS(ES) 10. SPONSOR/MONITOR'S ACRONYM(S) Air Force Office of Scientific Research NUMBER(S) DISTRIBUTION/ AVAILABILITY STATEMENTApproved for public release; distribution is unlimited AFRL-SR-AR-TR-07-01 00 SUPPLEMENTARY NOTES ABSTRACTStudies were conducted in several relevant areas, including (1) validation of the chemistry and transport models against the extinction of ultra-lean premixed hydrogen-air mixtures, (2) a comprehensive theoretical analysis of the reaction kinetics of carbon monoxide and the hydroxyl radical, (3) a theoretical kinetic study of the decomposition of ethylene oxide; (4) a gas-kinetic analysis for the transport properties of long chain molecules in dilute gases, (5) quantum-chemistry, master equation modeling of the unimolecular decomposition of orthobenzyne, (6) extension of the previously developed hydrogen/carbon model to combustion pressures as high as 600 atm, (7) an updated kinetic mechanism of small-hydrocarbon fuel combustion for use as a kinetic foundation of higher hydrocarbon combustion, and (8) a methodology for kinetic uncertainty propagation. These projects represent the two key ingredients for meeting the overall project objectives: (a) an accurate physico-chemical property database for combustion kinetics, and (b) a unified and optimized kinetic model for liquid aliphatic and aromatic fuel combustion with quantifiable uncertainties.15.

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Gas-Nanoparticle Scattering: A Molecular View of Momentum Accommodation Function

Cited by 73 publications

References 22 publications

Fluid transport in nanochannels induced by temperature gradients

Fluid transport in nanochannels induced by temperature gradients

Molecular Dynamics Simulation of Composite Nanochannels as Nanopumps Driven by Symmetric Temperature Gradients

Development of a Comprehensive and Predictive Reaction Mechanism of Liquid Hydrocarbon Combustion

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