# WEBMAXC EXTENDED

7/3/2009 see WEBMAXC STANDARD for more metals

NOTE: It is possible with the FIND FREE METAL calculation to produce answers that are not valid. This is more likely to occur with multiple metals. If you find one of the metals shows almost no effect of the chelator presence, be suspicious. Try different concentrations of the second metal. If there is a point where the result suddenly changes the first metal, then you are having problems with a convergence error. Try the Windows version. Here double precision math is used and it is also able to warn specifically about convergence problems.

INTRODUCTION

WARNING: limited error checking in this version. Be careful how you enter information..

If you post on a web site, I would appreciate a link back to the MaxChelator home page: http://www.stanford.edu/~cpatton/maxc.html

### PROGRAM

1) Choose a calculation type:

 FIND FREE METAL(S)  FIND TOTAL METAL(S)

2) Choose temperature in degrees C (0-50), pH (4-10) and ionic strength (empirical ionic equivalents. 0.001-1.000, seawater = 0.5 and ringers = 0.16):

 Temperature = pH = Ionic =

3) You must have all cross constants for a calculation to work.
NOTE: Nothing prevents the program from running with unavailable constants, but the results will not be valid!

"A" means constants are available. "T" means temperature compensation is also available.
Enter values to the left of the chelator and metals names you want. All values are in MOLAR. You may use scientific notation, i.e. 1E-3 for 0.001M.

 THE ARRAY: CHELATORS METALS

4) Press CALCULATE to produce answer below: NOTE: you may cut and paste all or parts of the answer to another application.

Gives free and total metals & chelators, Kds, complexes, ionic contribution

NOTE: You can "evaluate chelators" by having a non-zero value for any chelators you wish to evalute [like 1e-6] and at least one metal > zero. Kd's and ranges will appear at end [you may have to scroll down]. Only valid for metal-chelator combinations where there are constants.

Calculations above the buffer range of a metal/chelator can result in a convergence error in Find Free mode.