Single-File Diffusion of Confined Water Inside SWNTs: An NMR Study

Das, Anindya; Jayanthi, S.; Deepak, Handiganadu Srinivasa Murthy Vinay; Ramanathan, K. V.; Kumar, Anil; Dasgupta, Chandan; Sood, Anil K.

doi:10.1021/nn901554h

Cited by 108 publications

(137 citation statements)

References 46 publications

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“…Most of these studies concentrate on the calculation of the variance, and even this requires a rather elaborate analysis when there are interactions in addition to the hard-core repulsion. The sub-diffusive scaling has also been verified in several experimental systems [3,[31][32][33][34][35].…”

mentioning

confidence: 54%

“…Single-file diffusion is prevalent in numerous physical, chemical and biological processes: molecular motion inside porous medium like zeolite [1,2], water transport inside a carbon nanotube [3], motion of tagged monomers in a polymer chain [4], sliding of proteins in a DNA sequence [5], ion channels through biological membranes [6], super-ionic conductors [7], etc.…”

Section: Introductionmentioning

confidence: 99%

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Tagged Particle in Single-File Diffusion

2015

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Single-file diffusion is a one-dimensional interacting infinite-particle system in which the order of particles never changes. An intriguing feature of single-file diffusion is that the mean-square displacement of a tagged particle exhibits an anomalously slow sub-diffusive growth. We study the full statistics of the displacement using a macroscopic fluctuation theory. For the simplest single-file system of impenetrable Brownian particles we compute the large deviation function and provide an independent verification using an exact solution based on the microscopic dynamics. For an arbitrary single-file system, we apply perturbation techniques and derive an explicit formula for the variance in terms of the transport coefficients. The same method also allows us to compute the fourth cumulant of the tagged particle displacement for the symmetric exclusion process.

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mentioning

confidence: 54%

Section: Introductionmentioning

confidence: 99%

Tagged Particle in Single-File Diffusion

2015

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“…This sub-diffusive scaling has been demonstrated in a number of experimental realizations [7][8][9][10][11][12]. Theoretical analysis leads to a challenging many-body problem [13,14] because the motion of particles is strongly correlated.…”

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confidence: 80%

Large Deviations in Single-File Diffusion

2014

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We apply macroscopic fluctuation theory to study the diffusion of a tracer in a one-dimensional interacting particle system with excluded mutual passage, known as single-file diffusion. In the case of Brownian point particles with hard-core repulsion, we derive the cumulant generating function of the tracer position and its large deviation function. In the general case of arbitrary inter-particle interactions, we express the variance of the tracer position in terms of the collective transport properties, viz. the diffusion coefficient and the mobility. Our analysis applies both for fluctuating (annealed) and fixed (quenched) initial configurations.

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“…At the molecular level, pulsed field gradient nuclear magnetic resonance (NMR) techniques have been used to study SFD in adsorbate molecules confined in zeolites [19][20][21] and gas mixtures confined to polycrystalline dipeptide channels [22]. However, the observation of SFD by NMR is subject to some uncertainty in systems where alternative diffusion mechanisms could be responsible [23,24]. Single file diffusion has also been observed in colloidal systems [25,26], where it is being used in nano-and micro-fluidic devices [27,28], as well as to control flow rates in the delivery of drugs [29].…”

Section: Introductionmentioning

confidence: 99%

Diffusion in quasi-one-dimensional channels: A small system n, p, T, transition state theory for hopping times

Ahmadi

Bowles

2017

The Journal of Chemical Physics

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Particles confined to a single file, in a narrow quasi-one dimensional channel, exhibit a dynamic crossover from single file diffusion to Fickian diffusion as the channel radius increases and the particles can begin to pass each other. The long time diffusion coefficient for a system in the crossover regime can be described in terms of a hopping time, which measures the time it takes for a particle to escape the cage formed by its neighbours. In this paper, we develop a transition state theory approach to the calculation of the hopping time, using the small system isobaric-isothermal ensemble to rigorously account for the volume fluctuations associated with the size of the cage. We also describe a Monte Carlo simulation scheme that can be used to calculate the free energy barrier for particle hopping. The theory and simulation method correctly predict the hopping times for a two dimensional confined ideal gas system and a system of confined hard discs over a range of channel radii, but the method breaks down for wide channels in the hard discs case, underestimating the height of the hopping barrier due to the neglect of interactions between the small system and its surroundings.

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Single-File Diffusion of Confined Water Inside SWNTs: An NMR Study

Cited by 108 publications

References 46 publications

Tagged Particle in Single-File Diffusion

Tagged Particle in Single-File Diffusion

Large Deviations in Single-File Diffusion

Diffusion in quasi-one-dimensional channels: A small system n, p, T, transition state theory for hopping times

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