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Welcome. Monday, 17-Jun-19  4:31
 
GEM facilities for titration analysis exist and are currently being
extended. However, you should note that these procedures are rather
long-winded and complicated. Accordingly, you should use alternative
titration analysis software (e.g. ESTA) if at all possible. Search
the index for information about the ESTA facility within JESS.
 
This section describes titration analysis coupled with the GEM stages.
Currently you are able to process EMF and calorimetric titration data.
Titration data can be simulated and titration parameters optimized.
 
To carry out a simulation you must (i) set up the chemical
model, completing all the GEM stage calculations up to (but not
necessarily including) the QED stage, (ii) prepare the titration
data appropriately, following the instructions which you can
find by searching the index for "titration + simulation", and
(iii) perform the SIM stage using programs TELSIM and DOSIM.
 
The results from program DOSIM have exactly the same form as those
from DOQED, with each titration point treated as a scan point, so
you can inspect the output using program VEWQED
 
 

You prepare your titration data for GEM-stage analysis in a set of separate files. One file contains all the information from which the titration parameters are determined (such as titrand and titrant concentrations, electrode intercepts and slopes and the initial volumes in titration vessels). Consult the instructions for program TSTEVL to learn how this file must be prepared. The remaining files contain the titration data, with each individual titration having its own file. These data files must be in a delimited ASCII format, with heading (descriptors in quotes and separated by commas) and sucessive data pairs (say, titration volume and emf) each taking a new line. Note that these GEM stage titration analysis facilities complement those provided by the ESTA subsystem. The ESTA facilities are currently to be preferred if at all suited to your purpose since they are simpler to understand and easier to use (consult the index using the keyword "ESTA" for further details).