MulT_predict

INPUT:

• xlsx-file:[Sample No., Name, Pressure, pH value, Temperature, Element concentration]
  An xlsx-file, in a given template, can be read automatically and the geochemical data is passed to IPhreeqC.

OUTPUT:

• 'Name'.fig: [Saturation indices vs. temperature plot, statistics, temperature estimation]
  A saved MATLAB figure, which contains a diagram of the saturation indices of each utilized mineral phase plotted against the temperature, as well as the statistics (Root mean square error, standard deviation, etc.) and the temperature estimation box plot of the best-fit values.
• Text message: [steamloss/dilution [%], pH, and Al-concentration] A text message in MATLABs Command Window with the details about the best-fit parameters (-steamloss/+dilution 'w'%, pH value is 'x', and Aluminium concentration 'y', and 'individual element' concentration is 'z'[unit]).

WARNING:

• Only one xlsx-file can be read and calculated at the time
• The xlsx-file must be written in the given template
• Mineral phases which do not intersect or multiply intersect with the equilibrium line is not taken into account.

PLEASE NOTE:

• MulT_predict was programmed in MATLAB R2020b;
• To run MulT_predict, IPhreeqcCOM server (3.7.3) has to be installed
• The instruction of MulT_predict is described in the following

INSTRUCTION

• To use MulT_predict, MATLAB and IPhreeqC must be installed
• Start MulT_predict via the Run-button in the Editor Window in MATLAB
• Select an xlsx-file, in the recommended template, as an input file
• Select the samples which should be calculated
• Select the temperature-, pH-, Al concentration- and dilution range
• Enter, if needed pH-, Al-, -steamloss/+dilution- fixation or leave it empty
• Select mineral phases, which are taken into account for the temperature estimation
• Runtime, status updates, and the best-fit parameters are printed in the Command Window in MATLAB
• The final results are given in a four-parted figure which is saved as a fig-file named like the selected well in the list
• Changes in the used mineral phases or the size and numbers of sensitivity analysis steps must NOT be varied in the MATLAB Code!