<i>Intermolecular Forces: Their Origin and Determination</i>

Maitland, Geoffrey C.; Rigby, Maurice; Smith, E. B.; Wakeham, W. A.; Henderson, Douglas

doi:10.1063/1.2915587

Cited by 471 publications

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“…19,36 This theory assumes an interception of two particle trajectories where the energetic ion at velocity v0 is colliding with a carbon atom at velocity vc (Figure 1c). Depending on the minimum projected distance between two particle trajectories, p, the nuclei start to repel each other to avoid the overlap of the coulombic potential of the nuclei.…”

Section: Resultsmentioning

confidence: 99%

Understanding the interaction between energetic ions and freestanding graphene towards practical 2D perforation

et al. 2016

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Section: Resultsmentioning

confidence: 99%

Understanding the interaction between energetic ions and freestanding graphene towards practical 2D perforation

et al. 2016

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“…1). The authors comment that (3) can be easily used by engineers and chemists and the attractive constant A and the repulsive constant B of the system can be determined by individual elements using the Lorentz -Berthelot mixing rule [21]. All the L-J parameters used in this Letter are summarised in Table 1.…”

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confidence: 99%

Modelling interaction of atoms and ions with graphene

Chan

Hill

2010

Micro Nano Lett.

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In this Letter, the authors inve´stigate the interaction of various atoms/ions with a graphene sheet and two parallel graphene sheets using the continuous approximation and the 6-12 Lennard-Jones potential. The authors assume that the carbon atoms are smeared across the surface of the graphene sheet so that the total interaction between the single atom/ion and the graphene sheet can be approximated by a surface integration over the graphene sheet. They determine the equilibrium position for the atom/ion on the surface of the graphene sheet and the minimum intermolecular spacing between two graphene sheets. This minimum spacing is by symmetry twice the value for the equilibrium positions for a single graphene sheet and is such that the atom/ion undergoes no net force. The same methodology together with basic statistical mechanics are also employed to investigate the diffusion of the atom/ion from a central location to the edge of the graphene sheet at different temperatures. The results presented in this Letter are consistent with a similar study adopting a molecular dynamics simulation approach. Possible applications of the present study might include the development of future drug delivery systems and future high-performance alkali battery design using nanomaterials as components. In this Letter, the authors invéstigate the interaction of various atoms/ions with a graphene sheet and two parallel graphene sheets using the continuous approximation and the 6-12 Lennard-Jones potential. The authors assume that the carbon atoms are smeared across the surface of the graphene sheet so that the total interaction between the single atom/ion and the graphene sheet can be approximated by a surface integration over the graphene sheet. They determine the equilibrium position for the atom/ion on the surface of the graphene sheet and the minimum intermolecular spacing between two graphene sheets. This minimum spacing is by symmetry twice the value for the equilibrium positions for a single graphene sheet and is such that the atom/ion undergoes no net force. The same methodology together with basic statistical mechanics are also employed to investigate the diffusion of the atom/ion from a central location to the edge of the graphene sheet at different temperatures. The results presented in this Letter are consistent with a similar study adopting a molecular dynamics simulation approach. Possible applications of the present study might include the development of future drug delivery systems and future high-performance alkali battery design using nanomaterials as components.

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“…[15] for this potential appear to be too large by a factor ≈ 1.27. The values we calculate are given in Table 1.…”

Section: Dsmc Models and Viscosity Formulaementioning

confidence: 99%

“…They used the values T = 142.1 K, d = 3.76×10 −10 and ξ = 7.5 recommended for Argon in Ref. [15]. The upstream temperature in the simulations was T 1 = 300 K. The Chapman-Enskog viscosity for the Maitland-Smith potential is given by…”

Section: Dsmc Models and Viscosity Formulaementioning

confidence: 99%

Viscosity of argon at temperatures >2000 K from measured shock thickness

Macrossan

Lilley

2003

Physics of Fluids

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Mott-Smith's approximate theory of plane 1D shock structure (Phys. Rev., 82, 885-92, 1951; Phys. Rev., 5, 1325-36, 1962 suggests, for any intermolecular potential, the average number of collisions undergone by a molecule as it cross the shock quickly approaches a limit as the Mach number increases. We check this with DSMC calculations and show that it can be used to estimate the gas viscosity at high temperatures from measurements of shock thickness. We consider a monatomic gas (γ = 5/3) for five different collision models and hence five different viscosity laws µ = µ (T ). The collision models are: the variable hard sphere, σ ∝ 1/g 2υ , with three values of υ; the generalized hard sphere; and the Maitland-Smith potential. For shock Mach numbers M 1 4.48, all these collision models predict a shock thickness ∆ = 11.0λ s , where λ s is a suitably defined 'shock length scale', with a scatter ≈ 2.5% (2 standard deviations). This shock length depends on the upstream flow speed, downstream density and a collision cross-section derived from the viscosity of the gas at a temperature T g , characteristic of the collisions at relative speed g = u 1 − u 2 between upstream and downstream molecules. Using ∆ = 11λ s and the experimental measurements of shock thickness in argon given by Alsmeyer (J. Fluid Mech. 74, 498-513, 1976), we estimate the viscosity of argon at high values of T g . These estimated values agree with the viscosity of argon recommended by the CRC Handbook of Chemistry and Physics (2001) at T ≈ 1, 500 K. For T 2, 000 K, for which there appears to be no reliable direct measurements of viscosity, our estimated values lie be- Taking the error in the experimental measurements of ∆ as the scatter in the results of Alsmeyer (± 2%), we estimate the uncertainty in the viscosity deduced from the shock thickness measurements as less than ± 5%. To this accuracy, our results agree with the power law predictions and disagree with the CRC Handbook values, for T 3,000 K.

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Intermolecular Forces: Their Origin and Determination

Cited by 471 publications

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Understanding the interaction between energetic ions and freestanding graphene towards practical 2D perforation

Understanding the interaction between energetic ions and freestanding graphene towards practical 2D perforation

Modelling interaction of atoms and ions with graphene

Viscosity of argon at temperatures >2000 K from measured shock thickness

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Intermolecular Forces: Their Origin and Determination

Cited by 471 publications

References 0 publications

Understanding the interaction between energetic ions and freestanding graphene towards practical 2D perforation

Understanding the interaction between energetic ions and freestanding graphene towards practical 2D perforation

Modelling interaction of atoms and ions with graphene

Viscosity of argon at temperatures &gt;2000 K from measured shock thickness

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Viscosity of argon at temperatures >2000 K from measured shock thickness