Display options
Cite
Biello JA, Samson R. Competitive effects between stationary chemical reaction centres: a theory based on off-center monopoles. J Chem Phys. 2015;142(9):094109doi: 10.1063/1.4913216.
Biello, J. A., & Samson, R. (2015). Competitive effects between stationary chemical reaction centres: a theory based on off-center monopoles. The Journal of chemical physics, 142(9), 094109. https://doi.org/10.1063/1.4913216
Biello, Joseph A, and Samson, René. "Competitive effects between stationary chemical reaction centres: a theory based on off-center monopoles." The Journal of chemical physics vol. 142,9 (2015): 094109. doi: https://doi.org/10.1063/1.4913216
Biello JA, Samson R. Competitive effects between stationary chemical reaction centres: a theory based on off-center monopoles. J Chem Phys. 2015 Mar 07;142(9):094109. doi: 10.1063/1.4913216. PMID: 25747063.
Copy Download .nbib Format: NLM
Share it on

J Chem Phys. 2015 Mar 07;142(9):094109. doi: 10.1063/1.4913216.

Competitive effects between stationary chemical reaction centres: a theory based on off-center monopoles.

The Journal of chemical physics

Joseph A Biello, René Samson

Affiliations

  1. Department of Mathematics, University of California, Davis, California 95616, USA.
  2. ex-Shell Research and Technology Center, Amsterdam, The Netherlands.

PMID: 25747063 DOI: 10.1063/1.4913216

Abstract

The subject of this paper is competitive effects between multiple reaction sinks. A theory based on off-center monopoles is developed for the steady-state diffusion equation and for the convection-diffusion equation with a constant flow field. The dipolar approximation for the diffusion equation with two equal reaction centres is compared with the exact solution. The former turns out to be remarkably accurate, even for two touching spheres. Numerical evidence is presented to show that the same holds for larger clusters (with more than two spheres). The theory is extended to the convection-diffusion equation with a constant flow field. As one increases the convective velocity, the competitive effects between the reactive centres gradually become less significant. This is demonstrated for a number of cluster configurations. At high flow velocities, the current methodology breaks down. Fixing this problem will be the subject of future research. The current method is useful as an easy-to-use tool for the calibration of other more complicated models in mass and/or heat transfer.

Publication Types