Two time scales for self and collective diffusion near the critical point in a simple patchy model for proteins with floating bonds

Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskrift

Abstract

Using dynamic Monte Carlo and Brownian dynamics, we investigate a floating bond model in which particles can bind through mobile bonds. The maximum number of bonds (here fixed to 4) can be tuned by appropriately choosing the repulsive, nonadditive interactions among bonds and particles. We compute the static and dynamic structure factor (intermediate scattering function) in the vicinity of the gas-liquid critical point. The static structure exhibits a weak tetrahedral network character. The intermediate scattering function shows a temporal decay deviating from a single exponential, which can be described by a double exponential decay where the two time scales differ approximately by one order of magnitude. This time scale separation is robust over a range of wave numbers. The analysis of clusters in real space indicates the formation of noncompact clusters and shows a considerable stretch in the instantaneous size distribution when approaching the critical point. The average time evolution of the largest subcluster of given initial clusters with 10 or more particles also shows a double exponential decay. The observation of two time scales in the intermediate scattering function at low packing fractions is consistent with similar findings in globular protein solutions with trivalent metal ions that act as bonds between proteins.

Detaljer

Författare
  • J. Bleibel
  • M. Habiger
  • M. Lütje
  • F. Hirschmann
  • F. Roosen-Runge
  • T. Seydel
  • F. Zhang
  • F. Schreiber
  • M. Oettel
Enheter & grupper
Externa organisationer
  • University of Tübingen
  • Max Planck Institute for Intelligent Systems
  • Institut Laue Langevin
Forskningsområden

Ämnesklassifikation (UKÄ) – OBLIGATORISK

  • Fysikalisk kemi
Originalspråkengelska
Sidor (från-till)8006-8016
Antal sidor11
TidskriftSoft Matter
Volym14
Utgåva nummer39
StatusPublished - 2018
PublikationskategoriForskning
Peer review utfördJa