Fast quasi-explicit finite difference simulation of electrochemical responses initiated by a discontinuous perturbation

Conference · Tue Jan 01 04:00:00 EST 1991

OSTI ID:6137633

Feldberg, S W

Commencing in the early 60s the application of explicit finite difference (EFD) methods to the analysis of electrochemical problems paralleled the development and availability of fast, main-frame, digital computers. The appeal of the EFD method has been its simplicity of principle and of application. EFD algorithms, however, are notoriously inefficient for solving certain types of stiff problems (e.g., problems involving a wide dynamic range of time constants). In this presentation the author discusses the principles and some applications of a fast quasi-explicit finite difference (FQEFD) method in which the computational speed is enhanced, by many orders of magnitude in some cases, without compromising the user friendliness which has popularized the EFD method. The method is designed to treat electrochemical responses to a discontinuous (e.g, chronoamperometric) perturbation and utilizes the DuFort-Frankel algorithm (1) with exponentially expanding space (2) and exponentially expanding time grids. (A previously published version of the FQEFD method (3,4) was designed to treat electrochemical responses to a continuous (e.g., cyclic voltammetric) perturbation and utilizes the DuFort-Frankel (3) algorithm in conjunction with an exponentially expanding space grid and a uniform time grid. The development of the basic FQEFD equations was presented there). The protocol for introducing the expanding time grid is straightforward and is discussed. 7 refs., 1 fig. 1 tab.

• Research Organization: Brookhaven National Lab., Upton, NY (USA)
• Sponsoring Organization: DOE; USDOE, Washington, DC (USA)
• DOE Contract Number: AC02-76CH00016
• OSTI ID: 6137633
• Report Number(s): BNL-45634; CONF-910552--6; ON: DE91006917
• Country of Publication: United States
• Language: English

Related Subjects

99 GENERAL AND MISCELLANEOUS
990200* -- Mathematics & Computers
ALGORITHMS
CALCULATION METHODS
COMPUTERIZED SIMULATION
CONVERSION
ELECTROCHEMICAL ENERGY CONVERSION
ENERGY CONVERSION
EQUATIONS
FINITE DIFFERENCE METHOD
FLUCTUATIONS
FUNCTIONS
ITERATIVE METHODS
MATHEMATICAL LOGIC
NUMERICAL SOLUTION
PERFORMANCE
RESPONSE FUNCTIONS
SIMULATION
TIME DEPENDENCE
USES
VARIATIONS