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loloyohe

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  1. With the new update in GWB that allows solid solutions, does the ideal mixing setting model solutions have an ideal molecular mixing model or an ideal site mixing model?
  2. Thank you, Jia. This worked great. Looking forward to moving forward.
  3. I have two Tcl scripts designed to heat up samples in the first script, and save this to output. I then have a second script that reads in this output from script1 and then mixes and reacts the samples in the second loop. In the first script, the output writes nicely to a file (see output "Output_SW_HOT.txt"). In the second script, any output from the reaction (obtained via the "report" function) only will write to the console and refuses to write to the output. Any other text, including rewriting the input to the outfile is okay. It is just when I am trying to obtain the values with report that it will not write these values to output. I am (1) confused as to why this does this, and (2) even more confused as to why I don't have a problem with this in the first script. I am using GWB v. 10 React console to run the scripts. Here is the first script for heating the samples: #React script, saved Mon Dec 18 2019 by DDS script script start data = "500nocSS.dat" verify #Set up the input and output set in_id [open "SO4_SW_Spreadsheet.txt" r] set out_id [open "Output_SW_HOT.txt" w] fconfigure $out_id -encoding unicode set in_id [open "SO4_SW_Spreadsheet.txt" r] fconfigure $in_id -encoding unicode gets $in_id headers puts $out_id "Temperature\tpH\tH2O\tNa+\tCl-\tSO4--\tH2(aq)\tMg++\tFe++\tCa++" #Loop through remaining lines gets $in_id aline while {$aline != ""} { set i 0 balance on Cl- report set_digits 4 foreach a [lrange $aline 1 end] { incr i 1 if {[lindex $headers $i] == "pH"} { pH = $a } elseif {[lindex $headers $i] == "H2O"} { H2O = $a [lindex $headers $i] kg } else { $a = [lindex $headers $i] mmol/kg } } temperature initial = 25 C, final = 250 C go puts $out_id \ "[report Temperature]\t[report pH]\t[report soln_mass]\t[report concentration Na+]\t[report concentration Cl-]\t[report concentration SO4--]\t[report concentration H2(aq)]\t[report concentration Mg++]\t[report concentration Fe++]\t[report concentration Ca++]" gets $in_id aline } script script start close $in_id close $out_id Here is the second script for mixing the samples: #Set up the input and output set in_id2 [open "Output_SW_HOT.txt" r] set out_id2 [open "Output_HF_SW_MIX.txt" w] fconfigure $out_id2 -encoding unicode set in_id2 [open "Output_SW_HOT.txt" r] fconfigure $in_id2 -encoding unicode gets $in_id2 headers puts $out_id2 "$headers\tTemperature\tpH\tH2O\tNa+\tCl-\tSO4--\tH2(aq)\tMg++\tFe++\tCa++" #Loop through remaining lines gets $in_id2 aline while {$aline != ""} { set i 0 balance on Cl- report set_digits 4 foreach a [lrange $aline 1 end] { incr i 1 if {[lindex $headers $i] == "pH"} { pH = $a } elseif {[lindex $headers $i] == "H2O"} { H2O = $a [lindex $headers $i] kg } else { $a = [lindex $headers $i] mol/kg } } go pickup reactants = fluid temperature initial = 400 C, reactants = 250 C H2O = 2 free kg Na+ = 550 mmol/kg Cl- = 550 mmol/kg balance on Cl- Fe++ = 16.56 mmol/kg pH = 5 swap H2S(aq) for SO4-- H2S(aq) = 19.77 mmol/kg swap H2(aq) for O2(aq) H2(aq) = 19.1 mmol/kg Ca++ = 40 mmol/kg Mg++ = 1e-10 mmol/kg go foreach a [lrange $aline 0 end] { puts -nonewline $out_id2 "$a\t" } puts $out_id2 \ "[report Temperature]\t[report pH]\t[report soln_mass]\t[report concentration Na+]\t[report concentration Cl-]\t[report concentration SO4--]\t[report concentration H2(aq)]\t[report concentration Mg++]\t[report concentration Fe++]\t[report concentration Ca++]" reset reactants gets $in_id2 aline } #Clean up. script script start close $in_id2 close $out_id2 Thank you for your help and insight. Output_SW_HOT.txt Output_HF_SW_MIX.txt SO4_SW_Spreadsheet.txt 500nocSS.dat
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