Temperature effects in the mechanical desorption of an infinitely long lattice chain: Re-entrant phase diagrams

Skvortsov, A.M.; Klushin, Leonid I.; Fleer, G.J.; Leermakers, F.A.M.

doi:10.1063/1.3110604

Cited by 23 publications

(32 citation statements)

References 42 publications

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“…Several theoretical studies [10][11][12][13][14][15][16][17][18][19][20][21][22][23] have provided insight into the equilibrium behavior and the mechanism of polymer detachment from an adsorbing surface. The first analytical theory 10 for mechanical desorption of a chain grafted with one end to a surface by an external force applied to the other end was constructed a long time ago using a lattice model in the limit of infinite chain length.…”

Section: Introductionmentioning

confidence: 99%

Analytical theory of finite-size effects in mechanical desorption of a polymer chain

Skvortsov

Klushin

Fleer

et al. 2010

The Journal of Chemical Physics

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We discuss a unique system that allows exact analytical investigation of first- and second-order transitions with finite-size effects: mechanical desorption of an ideal lattice polymer chain grafted with one end to a solid substrate with a pulling force applied to the other end. We exploit the analogy with a continuum model and use accurate mapping between the parameters in continuum and lattice descriptions, which leads to a fully analytical partition function as a function of chain length, temperature (or adsorption strength), and pulling force. The adsorption-desorption phase diagram, which gives the critical force as a function of temperature, is nonmonotonic and gives rise to re-entrance. We analyze the chain length dependence of several chain properties (bound fraction, chain extension, and heat capacity) for different cross sections of the phase diagram. Close to the transition a single parameter (the product of the chain length N and the deviation from the transition point) describes all thermodynamic properties. We discuss finite-size effects at the second-order transition (adsorption without force) and at the first-order transition (mechanical desorption). The first-order transition has some unusual features: The heat capacity in the transition region increases anomalously with temperature as a power law, metastable states are completely absent, and instead of a bimodal distribution there is a flat region that becomes more pronounced with increasing chain length. The reason for this anomaly is the absence of an excess surface energy for the boundary between adsorbed and stretched coexisting phases (this boundary is one segment only): The two states strongly fluctuate in the transition point. The relation between mechanical desorption and mechanical unzipping of DNA is discussed.

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Section: Introductionmentioning

confidence: 99%

Analytical theory of finite-size effects in mechanical desorption of a polymer chain

Skvortsov

Klushin

Fleer

et al. 2010

The Journal of Chemical Physics

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“…The reentrance is associated with the force required to compensate for this entropy loss. See also [24] and [25] for related work. In two dimensions the critical force is a monotone decreasing function of the temperature [3,19,20,22].…”

Section: Introductionmentioning

confidence: 99%

Self-avoiding walks adsorbed at a surface and pulled at their mid-point

Rensburg¹,

Whittington²

2017

J. Phys. A: Math. Theor.

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Abstract. We consider a self-avoiding walk on the d-dimensional hypercubic lattice, terminally attached to an impenetrable hyperplane at which it can adsorb. When a force is applied the walk can be pulled off the surface and we consider the situation where the force is applied at the middle vertex of the walk. We show that the temperature dependence of the critical force required for desorption differs from the corresponding value when the force is applied at the end-point of the walk. This is of interest in single molecule pulling experiments since it shows that the required force can depend on where the force is applied. We also briefly consider the situation when the force is applied at other interior vertices of the walk.

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“…However, for an ideal lattice chain on a cubic lattice with no step reversal (5-choice lattice) an analytical solution for the thermodynamic limit is known. 25,26 It turns out that the ideal 5-choice model is remarkably successful in describing the adsorption of self-avoiding chains. We compare the adsorbed fraction θ and the monomer chemical potential μ ads (counted from the respective coil state) for the two models (SAW and ideal 5-choice walks) taking chains in the range 64 ≤ N ≤ 2048.…”

Section: Chemical Potential Of a Monomer Unit In Adsorbed Chains Withmentioning

confidence: 99%

“…The critical adsorption energy c for SAW has been determined with high accuracy, 22,28 SAW c ≈ 0.284, while for the ideal 5-choice walk it is known exactly, id c = ln(5/4). The function μ id ads ( ) is expressed in the inverse form 25 = ln 2 3x…”

Section: Chemical Potential Of a Monomer Unit In Adsorbed Chains Withmentioning

confidence: 99%

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Coil-bridge transition in a single polymer chain as an unconventional phase transition: Theory and simulation

Klushin

Skvortsov

Polotsky

et al. 2014

The Journal of Chemical Physics

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The coil-bridge transition in a self-avoiding lattice chain with one end fixed at height H above the attractive planar surface is investigated by theory and Monte Carlo simulation. We focus on the details of the first-order phase transition between the coil state at large height H ⩾ Htr and a bridge state at H ⩽ Htr, where Htr corresponds to the coil-bridge transition point. The equilibrium properties of the chain were calculated using the Monte Carlo pruned-enriched Rosenbluth method in the moderate adsorption regime at (H/Na)tr ⩽ 0.27 where N is the number of monomer units of linear size a. An analytical theory of the coil-bridge transition for lattice chains with excluded volume interactions is presented in this regime. The theory provides an excellent quantitative description of numerical results at all heights, 10 ⩽ H/a ⩽ 320 and all chain lengths 40 < N < 2560 without free fitting parameters. A simple theory taking into account the effect of finite extensibility of the lattice chain in the strong adsorption regime at (H/Na)tr ⩾ 0.5 is presented. We discuss some unconventional properties of the coil-bridge transition: the absence of phase coexistence, two micro-phases involved in the bridge state, and abnormal behavior in the microcanonical ensemble.

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Temperature effects in the mechanical desorption of an infinitely long lattice chain: Re-entrant phase diagrams

Cited by 23 publications

References 42 publications

Analytical theory of finite-size effects in mechanical desorption of a polymer chain

Analytical theory of finite-size effects in mechanical desorption of a polymer chain

Self-avoiding walks adsorbed at a surface and pulled at their mid-point

Coil-bridge transition in a single polymer chain as an unconventional phase transition: Theory and simulation

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