Abstract

In studies of the eventual fate of toxic chemicals in the environment, it is common to acquire data on the concentration of chemical species of interest as a function of time. A mechanism is often postulated to explain the observed data. To test the proposed mechanism, one must cast the individual reaction steps into differential equations and integrate. In general, the proposed kinetic processes are nonlinear, and no closed analytical expressions are available. Thus, the only way to fit the observed data is to use numerical integration techniques. This paper describes the development of a computer program based on a modified Marquardt algorithm in conjunction with a least-squares differential corrector to estimate the required states and parameters. Actual data from the decay of hydrazine vapor in an environmental chamber are used to test four proposed loss mechanisms. The use of error residuals as a test of the model fit is demonstrated. The importance of sampling time regularity and integration step size is also shown.

Computer-aided morphometric data collection, mapping, and analysis for neuropathologists

Donald G. Lloyd, Harry L. Loats, Donald L. Price, and Linda C. Cork
Appl. Opt. 26(16) 3390-3397 (1987)

Parallel model of the kinetic depth effect using local computations

Michael S. Landy
J. Opt. Soc. Am. A 4(5) 864-877 (1987)

Computer-aided-design-model-assisted absolute three-dimensional shape measurement

Beiwen Li, Tyler Bell, and Song Zhang
Appl. Opt. 56(24) 6770-6776 (2017)

Kinetic Model and Computer Simulation of Continuous Wave DF-CO₂ Chemical Transfer Lasers

W. Baumann, J. A. Blauer, S. W. Zelazny, and W. C. Solomon
Appl. Opt. 13(12) 2823-2834 (1974)

Computer Program for the Analysis of Interferometric Test Data

M. P. Rimmer, C. M. King, and D. G. Fox
Appl. Opt. 11(12) 2790-2796 (1972)