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ReactLab™ EQUILIBRIA
Global Analysis and Reaction Modeling for Chemical Equilibria
USER MANUAL
Contents
ReactLab™ EQUILIBRIA ................................................................................................................... 1
ABOUT THIS MANUAL ............................................................................................................ 4
SYSTEM REQUIREMENTS AND INSTALLATION ....................................................................... 4
CONTACT INFORMATION AND SUPPORT .............................................................................. 4
PART 1: REFERENCE GUIDE ........................................................................................................ 5
INTRODUCTION ...................................................................................................................... 5
EXCEL TEMPLATES .................................................................................................................. 5
TITRATION MODES ................................................................................................................. 7
TITRATION DATA, SPECIES AND COMPONENT CONCENTRATIONS ....................................... 8
‘Automatic’ TITRATION MODE ............................................................................................... 9
‘Manual’ TITRATION MODE ................................................................................................. 10
‘pH-Metered’ TITRATIONS ................................................................................................... 10
STARTING THE MATLAB PROGRAM ..................................................................................... 11
Program Operation .............................................................................................................. 12
Load Excel File .............................................................................................................................. 12
Close Excel File ............................................................................................................................. 13
Sync New Data ............................................................................................................................. 13
MODEL ENTRY AND COMPILATION ..................................................................................... 13
Compile Model ............................................................................................................................. 15
PARAMETER ENTRY .............................................................................................................. 16
FITTING THE MODEL TO DATA ............................................................................................. 17
Fit.................................................................................................................................................. 17
Update .......................................................................................................................................... 19
Residuals....................................................................................................................................... 19
Graph GUI ..................................................................................................................................... 21
SIMULATION......................................................................................................................... 22
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ReactLab™ EQUILIBRIA 1.1