Iron Speciation and Solubility Calculations
Set up calculations of iron speciation and solubility using ORCHESTRA. Run the code via Java executive program and conduct uncertainty analysis with ORCHESTRA-PEST++. Generate random sets, incorporate generated parameters, and perform sensitivity analysis. Execute the processes through Command Prompt in Windows for effective implementation.
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1. Set up calculations of iron speciation and solubility via the code ORCHESTRA objects.txt minteqv4.txt adsmodels.txt Input.dat Output.dat Chemistry.inp Composer.inp Documentation.inp Concert.xml orchestra.jar
Set up files in ORCHESTRA Run the code ORCHESTRA by the Java executive program orchestra.jar
2. Set up uncertainty analysis via ORCHESTRA-PEST++ 2.1 Generate post-calibrated random sets via PESTPP-IES objects.txt Code in Fe.pst changed from PESTPP-IES to PESTPP-SWP minteqv4.txt adsmodels.txt If it incoporates with PESTPP-IES to generate post-calibrated random parameters, then it needs to add these files in this subfolder. Input.dat Output.dat Chemistry.inp Composer.inp Output_pest.dat Output.ins Fe.pst Chemistryl.tpl Documentation.inp Concert.xml orchestra.jar Orchestra_pest.bat
2. Set up uncertainty analysis via ORCHESTRA-PEST++ 2.2 incorporate generated random sets via PESTPP-SWP objects.txt minteqv4.txt adsmodels.txt If it incoporates with PESTPP-SWP to using generated parameters to calculate apparent iron solubility , then it needs to add these files in this subfolder. Input.dat Output.dat Chemistry.inp Composer.inp Output_pest.dat Output.ins Fe.pst Chemistryl.tpl Documentation.inp Concert.xml orchestra.jar Orchestra_pest.bat
Set up files in ORCHESTRA-PEST++ Run the cmd order using Command Prompt in windows. Firstly, using cd order to find the folder within ORCHESTRA-PEST++. Then, start the PEST++ by running pestpp-ies.exe or pestpp-swp.exe under this folder.
3. Set up sensitivity analysis via ORCHESTRA-PEST++ objects.txt Code in Fe.pst changed among PESTPP-IES, PESTPP-SWP and PESTPP-SEN. minteqv4.txt adsmodels.txt If it incoporates with PESTPP-SEN to generate post-calibrated random parameters, then it needs to add these files in this subfolder. Input.dat Output.dat Chemistry.inp Composer.inp Output_pest.dat Output.ins Fe.pst Chemistryl.tpl Documentation.inp Concert.xml orchestra.jar Orchestra_pest.bat
Set up files in ORCHESTRA-PEST++ Run the cmd order using Command Prompt in windows. Firstly, using cd order to find the folder within ORCHESTRA-PEST++. Then, start the PEST++ by running pestpp-sen.exe under this folder.
