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On the conformational transition of a self-avoiding walk adsorbed at an interface

par Bellemans, André ;Anokhin, Denis
Référence The Journal of Chemical Physics, 75, 5, page (2454-2461)
Publication Publié, 1981

Article révisé par les pairs

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Résumé :

The conformational transition of a self-avoiding walk at an interface, between nonadsorbed and adsorbed states, is investigated by means of extended numerical data in the asymptotic limit, for five-choice and four-choice walks on the simple cubic lattice, up to 14 and 16 steps, respectively. Given x = exp(βε), where ε is the energy per adsorbed segment (β = 1/kT), the location of the transition is found to be x* = 1.485 (five choice) and x* = 1.502 (four choice). The nature of the transition is also investigated and it is shown that the mean fraction of adsorbed segments y n(x), in the limit of infiniten, tends to 0 below x* and toA[ln(x/x*)]α above x*, with α≃0.35-0. 40. The mean thickness (perpendicular to the surface) and the mean spread (parallel to the surface) of the walks are also discussed. © 1981 American Institute of Physics.