Accession Number : AD0664045

Title :   CHEMIST--THE RAND CHEMICAL EQUILIBRIUM PROGRAM,

Corporate Author : RAND CORP SANTA MONICA CALIF

Personal Author(s) : DeLand,E. C.

Report Date : DEC 1967

Pagination or Media Count : 141

Abstract : A detailed report on the structure and use of CHEMIST, a computer program designed to simulate complex chemical equilibria. The study was compiled in response to a growing demand for a reference manual to accompany and document the program. CHEMIST is a program for use by professionals not trained in computer programming. Communication with the program is in English, chemical, and FORTRAN languages. The computer code currently exists in FORTRAN IV for the IBM 7044. In its present form it occupies approximately 25,000 words for the principal part. Additional specialized subroutines not essential to the operation can increase space requirements. The program uses an iterative mathematical programming technique to determine the composition that minimizes the total free energy of a chemical system, subject to system constraints. A detailed program description with examples is given, along with the program subroutines. The References and Selected Bibliography comprise as complete a listing of the literature as is currently possible. This manual will be updated as the CHEMIST program evolves further. (Author)

Descriptors :   (*CHEMICAL EQUILIBRIUM, *COMPUTER PROGRAMS), REACTION KINETICS, PHYSIOLOGY, BIOCHEMISTRY, SIMULATION, MATHEMATICAL MODELS, INSTRUCTION MANUALS, FREE ENERGY, MATHEMATICAL PROGRAMMING

Subject Categories : Biochemistry
      Physical Chemistry
      Computer Programming and Software

Distribution Statement : APPROVED FOR PUBLIC RELEASE