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QCMP068. ROK: Nonlinear Regression Optimization for
Kinetics
by L. S. Lobo and M. S. Lobo, Dept. de
Química, Universidade Nova de Lisboa, 2825
Monte Caparica, Portugal
ROK is a nonlinear regression program to optimize the constants of a given kinetic model to best fit experimental data. The program combines 4th order Runge-Kutta integration and direct search based on the method of Powell. A choice of objective function is available: least-squares or the determinant criterion. To run the program you need an IBM-PC with a graphics adapter. AT&T 400 line and 3270 PC are automatically recognized. The executable ROK-D is included with 7 model systems. Source code is also included, along with documentation showing how to modify the source to create new models. The Borland Graphical Interface files (.BGI) for Turbo Pascal (version 5.0) are included, along with two auxiliary files WINDOWS.TPU and INTERF.TPU.If one recompiles the source, one must remember to recreate the .TPU files and must use the .BGI files which come with the version of the compiler they are using.Thus, Borland Turbo Pascal (version 4.0 or later) is required for proper use of this system. Borland Turbo Pascal (version 4.0 or later) Lines of Code: 2098 |