In-plane force–extension response of a polymer confined to a surface

Iliafar, Sara; Vezenov, Dmitri V.; Jagota, Anand

doi:10.1016/j.eurpolymj.2013.12.001

Cited by 5 publications

(5 citation statements)

References 45 publications

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“…where Z 0 = 2η max J is the total number of configurations in the limit β → 0, and β is the equilibrium temperature of the chain. The above chain model is very similar to the 2D version [25] of the well-know "freely jointed chain" [26], the main difference being the maximum angle constraint between links. Our model thus shows an end-to-end length distribution of intermediate type between the 2D freely jointed chain [25] and the worm-like chain model [27].…”

mentioning

confidence: 94%

“…FIG. 3: Pressure.Left : average chain-1 configurations when disks are confined to a single region, with (a) N 1 = [0, 100, 200, ...900] isotropic disks (iso) and (b)N 1 = [0,10,25, 50, 75, 100, 150, 200, 300, 400] self propelled polar disks (spp). Right : dimensionless pressure Π * as a function of the packing fraction φ, for the isotropic (blue) and polar (red) disks, for chain-1 (•) and chain-2 ( ); the plain curves are the equilibrium equation of state for hard disks (eq.…”

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confidence: 99%

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Active versus Passive Hard Disks against a Membrane: Mechanical Pressure and Instability

et al. 2017

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We experimentally study the mechanical pressure exerted by a set of respectively passive isotropic and self-propelled polar disks onto two different flexible unidimensional membranes. In the case of the isotropic disks, the mechanical pressure, inferred from the shape of the membrane, is identical for both membranes and follows the equilibrium equation of state for hard disks. On the contrary, for the self-propelled disks, the mechanical pressure strongly depends on the membrane in use, and is thus not a state variable. When self propelled disks are present on both sides of the membrane, we observe an instability of the membrane akin to the one predicted theoretically for Active Brownian Particles against a soft wall. In that case, the integrated mechanical pressure difference across the membrane can not be computed from the sole knowledge of the packing fractions on both sides; a further evidence of the absence of equation of state.

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confidence: 94%

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confidence: 99%

Active versus Passive Hard Disks against a Membrane: Mechanical Pressure and Instability

et al. 2017

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“…The (theoretical) analysis of the nonequilibrium behavior of flexible and semiflexible polymers, e.g., under shear flow [73][74][75][76][77][78] or during stretching [79][80][81][82][83][84][85][86][87][88][89][90][91][92][93], reveals the paramount importance of the finite polymer extensibility. We expect this intrinsic polymer property to be essential also for polymers comprising active monomers.…”

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confidence: 99%

Conformational Properties of Active Semiflexible Polymers

2016

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Abstract:The conformational properties of flexible and semiflexible polymers exposed to active noise are studied theoretically. The noise may originate from the interaction of the polymer with surrounding active (Brownian) particles or from the inherent motion of the polymer itself, which may be composed of active Brownian particles. In the latter case, the respective monomers are independently propelled in directions changing diffusively. For the description of the polymer, we adopt the continuous Gaussian semiflexible polymer model. Specifically, the finite polymer extensibility is taken into account, which turns out to be essential for the polymer conformations. Our analytical calculations predict a strong dependence of the relaxation times on the activity. In particular, semiflexible polymers exhibit a crossover from a bending elasticity-dominated dynamics to the flexible polymer dynamics with increasing activity. This leads to a significant activity-induced polymer shrinkage over a large range of self-propulsion velocities. For large activities, the polymers swell and their extension becomes comparable to the contour length. The scaling properties of the mean square end-to-end distance with respect to the polymer length and monomer activity are discussed.

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“…In all known experiments, to the best of our knowledge, there is missing the final concave arc of the force‐extension curve before the BBP . It demonstrates that the flat region of the effective PES before the BBP, like in Figures A, or A, is not the region of stable molecular states.…”

Section: Model Pes For a Pulling Of A Bent Aba Molecule With C 2h Symmentioning

confidence: 83%

Toward a theory of mechanochemistry: Simple models from the very beginnings

Quapp

Bofill

Ribas‐Ariño

2018

Int J of Quantum Chemistry

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A core idea in the context of mechanochemistry is that applying an external tensile force along a reaction coordinate should enhance the chemical reaction of interest. Here, we analyze perturbed generic molecular structures: schematic models of triatomics, ABC, and tetraatomics, AABB. They are used to demonstrate that pulling does usually not use the “reaction coordinate,” but opens new reaction pathways. Within development of these models we use the concept of Newton trajectories for a theory of mechanochemistry. However, we find cases where the theory of Newton trajectories is not applicable. For all cases, we define the curve of force‐displaced stationary points, and we discuss the importance of barrier breakdown points and valley‐ridge inflection points. The examples use Morse potentials for bonds and simple angle functions and are demonstrated by assumed real values for the potential parameters. On the basis of the systematic study of some generic models we explain a set of already observed experimental mechanochemical phenomena in specific molecular systems and we apply the results to the strength of chemical bonds.

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In-plane force–extension response of a polymer confined to a surface

Cited by 5 publications

References 45 publications

Active versus Passive Hard Disks against a Membrane: Mechanical Pressure and Instability

Active versus Passive Hard Disks against a Membrane: Mechanical Pressure and Instability

Conformational Properties of Active Semiflexible Polymers

Toward a theory of mechanochemistry: Simple models from the very beginnings

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