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© IRL Press

Precise charge-coupling calculations for finite difference diffusion problems using a modifica tion of the add-on algorithm Q-COUPLE

George H. Dibdin

MRC Dental Group, The Dental School Lower Maudlin Street, Bristol BSI 2LY, UK

This note describes a minor modification to the recently published algorithm ‘Q-COUPLE’ designed for adding charge—charge interactions between diffusing species to time-dependent one-dimensional finite difference diffusion calculations. The original proposal concerned a simple way of doing this for Crank—Nicolson central time-difference schemes, and gave useful, but only approximate, agreement with theory in tests where the charge-coupling could also be calculated analytically. The new, slightly modified algorithm, when used with explicit (forward time-difference) modelling, gave analytically exact results for the charge interaction part of a similar trial calculation.

Received on November 5, 1990; accepted on January 11, 1991

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