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Optimization of multisite reactions in complex compartmentalized media.

T V Mendes1,2, T Guérin1

  • 1University of Bordeaux, CNRS, Laboratoire Ondes et Matière d'Aquitaine, /, F-33400 Talence, France.

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Adding a crowded compartment can accelerate complex reactions, especially for weakly reactive targets. Optimal compartment size minimizes reaction time, even outperforming systems without compartments.

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Area of Science:

  • Chemical Kinetics
  • Statistical Physics
  • Complex Systems

Background:

  • Transport and geometry influence reaction kinetics in complex media.
  • Subdiffusion in fractal media affects reactant encounter rates.
  • Dual-site reactions require two activation events within a time window.

Purpose of the Study:

  • Investigate the effect of a fractal compartment on reaction kinetics.
  • Determine if a compartment can accelerate reaction times.
  • Identify optimal conditions for reaction acceleration.

Main Methods:

  • Modeling random walker behavior in a diffusing medium with an obstructed fractal compartment.
  • Analytical predictions for reaction time.
  • Validation through simulations on a cubic lattice at the percolation threshold.

Main Results:

  • Reaction time can be minimized with an optimal compartment size.
  • Compartments can accelerate reactions compared to systems without them, particularly for weakly reactive targets.
  • Crowded compartments, despite slowing local motion, can enhance overall reaction kinetics.

Conclusions:

  • Compartmentalization in complex media can be a strategy to accelerate reaction kinetics.
  • The geometry and transport properties of the medium play crucial roles in reaction dynamics.
  • Understanding these factors is key for designing efficient chemical processes.