Software for Chemical Reaction Stoichiometry (CRS)

Universal Methods (R>1 and R=1)

Software or Published Program Listings

1. Betz, M.L., J. P. Hupke, and D. W. Dickerhoof (1997),
   "ChemBalance Wizard"
   • separate versions for Windows 3.x and Win95/NT
   • user-interactive program written in Visual Basic
   • (apparently) implements MRM
   • limited to 10 species

   
   

2. Missen, R.W., and W. R. Smith (1989),
   "A Question of Basic Chemical Literacy?",
   J. Chem. Educ.,66,217-218;erratum,66,534
   • program listing in QBASIC
   • implements MRM

   
   

3. Smith, W. R., and R. W. Missen (1982, 1991)
   "Chemical Reaction Equilibrium Analysis: Theory and Algorithms, Wiley-Interscience, New York, 1982; reprinted with corrections, Krieger, Malabar, FL., 1991", Appendix A
   • progam listings in FORTRAN, HP-41C and an early form of BASIC
   • implementations of MRM

   
   

4. Smith, W. R., and R. W. Missen (1997),
   "Using Mathematica and Maple to Obtain Chemical Equations",
   J. Chem. Educ., 74,1369-1371
   • implementation of MRM using computer algebra software

   
   

5. Smith, W. R., and R. W. Missen (1998),
   "Java Applet JSTOICH"
   • implementation of MRM
   • interactive Java applet
   • site also contains tutorial on chemical reaction stoichiometry

Descriptions of Software Implementation Only

1. Weltin, E. (1994),
   "Let a Computer Balance Your Chemical Equations and Determine the Number of Independent Reactions",
   J. Chem. Educ.,71, 295-297.
   • uses Gram-Schmidt orthogonalization; method always works
   • uses linear algebra concepts well beyond understanding of beginning students

   
   

2. Wink, D. J. (1994),
   "The Use of Matrix Inversion in Spreadsheet Programs to Obtain Chemical Equations",
   J. Chem. Educ.,71, 490-492.
   • not a universal method, since ordering of species may lead to difficulties (column interchange may be necessary - see the tutorial on this site)
   • uses matrix inversion spreadsheet feature

Methods Limited to R=1

Software or Published Program Listings

1. Andersen, P. K. and G. Bjedov (1996),
   "Chemical Stoichiometry Using MATLAB"
   proc. Frontiers in Education '96 Conference (FIE96), Marriot Hotel, Salt Lake City, Utah, November 6-9, 1996.
   • shows Matlab commands to solve linear equations assuming R=1 (Bottomley algebraic method)

   
   

2. Campanario, J. M. (1995),
   "Automatic 'Balancing' of Chemical Equations",
   Computers Chem.,19, 85-90.
   • CHEQUAWRIT.EXE, runs under DOS
   • uses Gauss-Jordan elimination to solve linear equations assuming R=1 (Bottomley algebraic method)
   • reports failure when R>1
   • Prof. Campanario has kindly provided a copy of the CHEQUAWRIT program for download from this site. To download it, right-click(Win) or hold(Mac) HERE , and select "Save Link As"
   • Contact Prof. Campanario via E-Mail

   
   

3. CHEMiCALC
   • available from Chemical Concepts Corporation
   • Win3.x,$US89; Mac, $US59; educational and multiple-copy discounts
   • also performs many stoichiometry-related calculations

   
   

4. Ramette, R. W. (1995),
   "REACT: Exploring Practical Thermodynamic and Equilibrium Calculations",
   J. Chem. Educ.: Software,8(B1),13.
   
   • available from Am. Chem. Society
   • $US60 within US, $US80 international
   • runs under DOS
   • also performs reaction book-keeping calculations, single-reaction equilibria

   
   

5. Stoichiometry
   • available from ChemSW
   • $US99 within US, $133 international; multi-user licenses available
   • runs under Win3.1/95/NT
   • "If the equation is not balanceable, the program will inform you" (a quote from the program description)
   • "The program uses complex algorithms yet it is intuitive and easy to use" (a quote from the program description)
   • also performs reaction book-keeping calculations

   
   

6. Zdravkovski, Zoran (1996),
   "Balancing Chemical Equations"
   • provides Mathcad worksheets to solve linear equations assuming R=1 (Bottomley algebraic method)

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