Thermally activated escape from a Lennard-Jones potential well

Larson, Richard S.; Lightfoot, E. J.

doi:10.1016/0378-4371(88)90221-x

Cited by 6 publications

(4 citation statements)

References 8 publications

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“…To understand how the scaling of τ esc relates to τ bridge – to – loop , we use Larson and Lightfoot’s theory for predicting the escape time of an overdamped Brownian particle from a Lennard-Jones potential well: , …”

Section: Resultsmentioning

confidence: 90%

Brownian Dynamics Simulations of Telechelic Polymers Transitioning between Hydrophobic Surfaces

Travitz

Larson

2021

Macromolecules

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We use Brownian dynamics (BD) simulations resolved at the level of a Kuhn step to calculate the rate at which a telechelic polymer with surface-adhering endcaps transitions from a bridge between two flat surfaces to a loop on a single surface. We then use self-consistent field theory to obtain the equilibrium ratio of bridges to loops and apply the principle of detailed balance to obtain the slower loop-to-bridge times from the faster bridge-to-loop times. The bridge-to-loop transition time has two scaling regimes: one where it is approximately equal to the time for a lone hydrophobic particle to desorb from a surface, and the other where it is dominated by the retraction time of the polymer; approximate formulas for both times are given. The results are important for interpreting the dynamics and rheology of latex coating fluids, in which colloidal particles are dynamically bridged by telechelic rheology-modifying polymers.

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Section: Resultsmentioning

confidence: 90%

Brownian Dynamics Simulations of Telechelic Polymers Transitioning between Hydrophobic Surfaces

Travitz

Larson

2021

Macromolecules

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“…The dissociation rate of an adsorbed monomer is next evaluated following the work of Larson and Lightfoot. 15 The potential for the monomer-surface interaction is assigned the generalized Lennard-Jones form,…”

Section: Monomer Adsorption and Desorptionmentioning

confidence: 99%

“…The problem of escape of a monomer from the well, in the diffusion controlled regime, has been dealt with by Larson and Lightfoot. 15 They chose a cutoff ͑escape͒ location where the potential is nearly flat. For such a choice of the escape point given by L c , it can be shown, starting from the Smoluchowski equation, that the escape rate constant from the surface is…”

Section: Monomer Adsorption and Desorptionmentioning

confidence: 99%

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Thermodynamics and kinetics of competing aggregation processes in a simple model system

Nag

Berry

2007

The Journal of Chemical Physics

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A simple model system has been used to develop thermodynamics and kinetics for bulk and surface aggregation processes capable of competing with each other. The processes are the stepwise aggregation of monomers in a fluid medium and on an impenetrable solid surface bounding the fluid medium, besides the adsorption and desorption of the same species at the solid-fluid interface. Emphasis is on aggregation processes in the high friction limit. The theoretical model is used to compare the kinetics and thermodynamics of the processes and to infer the conditions in which one process dominates another, in the high friction limit, such as in a liquid. The motivation of this study is obtaining insight into competition between aggregation in solution and on an adjoining surface, such as a cell membrane.

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Exit dynamics from Morse potential under thermal fluctuations

Vipin

Sankaranarayanan

2023

Pramana - J Phys

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Thermally activated escape from a Lennard-Jones potential well

Cited by 6 publications

References 8 publications

Brownian Dynamics Simulations of Telechelic Polymers Transitioning between Hydrophobic Surfaces

Brownian Dynamics Simulations of Telechelic Polymers Transitioning between Hydrophobic Surfaces

Thermodynamics and kinetics of competing aggregation processes in a simple model system

Exit dynamics from Morse potential under thermal fluctuations

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