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555. BOLTZMAN: Boltzmann Distribution Program
by Matthew J. Gilbert, Douglas A. Smith and Pannee Mukdeeprom, Department of Chemistry, University of Toledo, Toledo, Ohio 43606 This program is designed to calculate ratios of components and delta (delta G) values in a system using the Boltzmann energy equation. It will handle up to 500 data points and has options for input and output files. The equation used is: delta (delta G) = LOG(delta e) * r * temp where: temp = degrees Kelvin e = energy of component r = .001987 The program will accept input data from both the terminal and a data file (see: How To Make a Date File). Output can be displayed at the terminal, written to an output file, or both. Input and output can be in KC/mole or KJ/mole, where applicable. The program also has a regression analysis subroutine for running "what if" simulations. An expert mode is provided for ease of use, once basic use of the program is understood. FORTRAN 77 (VAX/VMS) Lines of Code: 568 |