Study of surface conditions and shear flow of LCP melts in nanochannels through molecular dynamics simulation

Yung, Kai Leung; He, Li; Xu, Yan; Shen, Yishan

doi:10.1016/j.polymer.2006.04.028

Cited by 11 publications

(7 citation statements)

References 16 publications

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“…3(e and f), the wetting displacement lengths for all the samples increased with increasing wetting temperature and wetting time, which is consistent with earlier reports. 14,24,31 For PS-5 nm-Au a signicant enhancement of displacement length was found at various temperatures in comparison with the other samples, as seen in Fig. 3(e) for a wetting time of 10 min.…”

Section: Effect Of Particle Size Of Aunp Monolayer On Polymer Owmentioning

confidence: 61%

“…Understanding and controlling the ow of liquids and melts on the nanoscale is of great relevance in fundamental research, 1,2 and in a number of practical applications, such as micro-and nano-uidics in medicine, 3,4 sensors, 5 solar cells 6,7 and lab-on-a-chip. 8 Compared with simple liquids, [9][10][11] however, investigation of the ow behaviour of polymer melts at the nanoscale, including nanochannels, has remained mainly a simulation analysis [12][13][14][15][16] because of the difficulty of obtaining ideal polymer melts of this type.…”

Section: Introductionmentioning

confidence: 99%

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The role of a nanoparticle monolayer on the flow of polymer melts in nanochannels

et al. 2014

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Understanding and controlling the flow properties of polymer melts at the nanoscale is of great relevance in fundamental research and in a variety of applications. In the present study we have analysed experimentally the flow behaviour of polymers in nanochannels of varying roughness, produced by gold nanoparticle absorption. The experimental results show that nanochannel roughness has a significant influence on surface energy and on the flow behaviour of polymer melts. These results provide fundamental information on the preparation of one-dimensional polymer nanochannels applicable in both micro- and nano-injection technology.

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Section: Effect Of Particle Size Of Aunp Monolayer On Polymer Owmentioning

confidence: 61%

Section: Introductionmentioning

confidence: 99%

The role of a nanoparticle monolayer on the flow of polymer melts in nanochannels

et al. 2014

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“…Molecular dynamics simulations avoid the difficulties of experimental investigation, and have become an effective tool in analyzing the rheological behavior of polymer fluids. Several researchers [10][11][12] have employed non-equilibrium molecular dynamics simulations to understand the properties of polymer fluids in Couette shear flow. One can distinguish from literatures three models, namely the dumbbell model [13], the freely jointed chain model [14] and the Rouse model [15], to simplify the structures of the polymer chains.…”

Section: Citationmentioning

confidence: 99%

Molecular dynamics simulation of injection of polyethylene fluid in a variable cross-section nano-channel

et al. 2011

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Numerical simulation of injection of polyethylene fluid in a variable cross-section nano-channel was carried out using the molecular dynamics method. The effects of the nano-channel cross-section and the external force on the rheological behavior and structural properties of the polyethylene fluid were investigated. It was found that an absorbed layer appeared near the wall and the thickness of the absorbed layer increased with increasing cone angle of the nano-channel. The injection distance of the polyethylene fluid decreased with increasing cone angle and decreasing external force. In the nano-channel with cone angle 45°, polyethylene particles uniformly filled the whole channel and were stretched along the flow direction. Uniaxial stretching of particles was enhanced when the external force was strengthened, which facilitates injection of the polyethylene fluid into the nano-channel. molecular dynamics simulation, polyethylene, injection process, nano-channel Citation:Feng J, Liao Q, Zhu X, et al. Molecular dynamics simulation of injection of polyethylene fluid in a variable cross-section nano-channel. Chinese Sci Bull, 2011Bull, , 56: 1848Bull, −1856Bull, , doi: 10.1007 With the development of nano-manufacturing, the technologies of precise distribution and delivery have been applied to a multitude of areas such as medical and biochemical engineering. Nano-injection systems, e.g. the nano-injector with an electromagnetic micro pump [1], nano-injection for capillary gas chromatography [2] and injection of ceramic bodies in nano-channels [3], have received much attention [4,5]. Injection molding of polymers is also utilized in many areas [6,7]. A polymer fluid exhibits unusual viscoelastic behavior in a nano-channel because of the topological constraints [8,9], so the process of polymer injection should be precisely controlled. The variation of any operating condition, such as temperature, viscosity, injection speed and pressure, can change the fluid properties of a polymer and destroy the injection process. Thus the complex *Corresponding author (email: lqzx@cqu.edu.cn) behavior of polymer flow in nano-channels should be fully understood. Molecular dynamics simulations avoid the difficulties of experimental investigation, and have become an effective tool in analyzing the rheological behavior of polymer fluids. Several researchers [10][11][12] have employed non-equilibrium molecular dynamics simulations to understand the properties of polymer fluids in Couette shear flow. One can distinguish from literatures three models, namely the dumbbell model [13], the freely jointed chain model [14] and the Rouse model [15], to simplify the structures of the polymer chains. In the dumbbell model two beads that represent the molecular segments of several monomers are connected by a Hookean spring, which denotes the entropic effects on the end-to-end vector of the polymer. The freely jointed chain model depicts the polymer as a chain consisting of segments; the orientation of a segment is totally independent of

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“…It was concluded that the tangential momentum accommodation coefficient decreases with the increasing temperatures following an exponential decay law. Xu A lot of literatures 6,7,[10][11][12][13][14][15][16][17][18][19] about fluid flows in nanochannels with the same wettability in two surfaces have been published. Biomimetic research gives scientists much inspiration to realize the special wettability on functional surfaces, which may bring great advantages in a wide variety of application areas.…”

Section: Introductionmentioning

confidence: 99%

Molecular dynamics simulations of gas flow in nanochannel with a Janus interface

Xie

Liu

2012

AIP Advances

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It is interesting to investigate fluid flow in nanochannel with a Janus interface (NCJI), especially when considering the asymmetric situations of wettability in the biology. The simulation results show that the temperature has a significant influence on the particle number near the hydrophilic surface because the desorption increases with the fluid temperature, while the external force has a little influence on the mass distribution. Because the viscosity of gas increases with temperature, the flow velocity of gas in NCJI decreases as the wall temperature increases. The flow in NCJI is neither Poiseuille-like nor plug-flow behaviors. This particular form of flow may be able to help us invent new nano-devices

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Study of surface conditions and shear flow of LCP melts in nanochannels through molecular dynamics simulation

Cited by 11 publications

References 16 publications

The role of a nanoparticle monolayer on the flow of polymer melts in nanochannels

The role of a nanoparticle monolayer on the flow of polymer melts in nanochannels

Molecular dynamics simulation of injection of polyethylene fluid in a variable cross-section nano-channel

Molecular dynamics simulations of gas flow in nanochannel with a Janus interface

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