Finally!

Some real work is being done with perl!

Unfortunately, this code has some problems. See my partial log here for a 100L bath:

4.  H202
2.  HF
1.  DI

What is the solvent:  1

What is the final concentration of each chemical you desire (wt %):

H202 (in %):  30

HF (in %):  10

Here are the volumes you need to fill:

H202:           102.94 L
HF:             20.1 L
DI:             -23.04 L
[download]

I suggest examination of this code carefully before mixing chemicals via this calculation. The effort is well appreciated however.

One more suggestion: Use IUPAC names please. I once ordered "IPA" from a major chemical manufacturer only to receive isopropyl acetate instead of the isopropanol delivery expected.

Here is the updated code with some fixed problems...

#!c:\perl\bin\perl.exe;

#Calculating Information about chemical baths
#Author = David Daycock
#Date = April, 2004

# Revision 1.0.3 added IPA and is fixing a problem with undefing some 
+of the variables.






#First, lets initilize the hashs we will need and fill them with data.
+..

%density = (
                DI => "1",
                HF => "1.16",
                NH4OH => "0.9",
                H202 => "1.11",
                HCl => "1.18",
                H2SO4 => "1.84",
                Citric_Acid => "1",
                NH4F => "1.01",
                TMAH => "1",
                NITRIC => "1.415",
                ACETIC => "1.05",
                PHOS => "1.7",
                IPA  => "0.79"
            );

%concentration =(
                DI => "1",
                HF => "0.49",
                NH4OH => "0.29",
                H202 => "0.3",
                HCl => "0.37",
                H2SO4 => ".98",
                Citric_Acid => "0.5",
                NH4F => "0.4",
                TMAH => "0.25",
                NITRIC => "0.7",
                ACETIC => "0.8",
                PHOS => "0.85",
                IPA => "1.0"
                );
                
%because = (
                1 => "DI",
                2 => "HF",
                3 => "NH4OH",
                4 => "H202",
                5 => "HCl",
                6 => "H2SO4",
                7 => "Citric_Acid",
                8 => "NH4F",
                9 => "TMAH",
                10 => "NITRIC",
                11 => "ACETIC",
                12 => "PHOS",
                13 => "IPA",
                14 => "Other"
            );        
            

#Overall Script Flow below:

&INTRODUCTION;

$true = 0;

&CHOICE;





sub INTRODUCTION
{
#    print("\n\nChemical Bath Calculation Utility\n");

print <<DONE

******************************************************
*                                                    *
*                                                    *
*          Chemical Bath Calculation Utility         *
*                      ver. 1.0.3                    *
*                                                    *
*                    by:                             *
*                      David Daycock                 *
*                                                    *
*                                                    *
*                                                    *
******************************************************

DONE

}                
                        
            
            
            
            
sub CHOICE
{

        print("\nMake a Selection: \n");
        print("1. Calculate amount of material to make the bath.\n");
        print("2. Convert chemical ratio to mass percent.\n");
        print("3. Display a list of assumptions used in the calculatio
+ns.\n");              
        print("4. Quit\n\n");
        print("Choice: ");
        $where = <STDIN>;
        chomp($where);
        
        if ($where == 1)

          {
            &MAKE_BATH;

          } 
          
        elsif ($where == 2)

          {
            &RATIO;

          }
                    
        elsif ($where == 4)

          {  
              &QUIT;

          } 

       elsif ($where == 3)

          {  
              &ASSUME;

          }  
       else 
          {
        
              print ("\nThat is not an option...try again.\n");
              &CHOICE;

          };
}

sub MAKE_BATH        #subroutine to calculate how much chemical to pou
+r into a bath...
{

    print <<DONE
    
*******************************************************************
*                                                                 *
*   This Utility will give you an estimate of the amount of       *
*   material you need to pour into your bath to achieve           *
*   a desired weight percent based concentration                  *
*                                                                 *
*                                                                 *
*******************************************************************   
+ 
    
DONE
    
    ;&BASIC_QUESTIONS;
    print("\n\n");
        foreach (@choices)
    {
        print("$_\.  $because{$_}\n");
    }
    print ("\nWhat is the solvent:  ");
    $solvent = <STDIN>;
    chomp($solvent);
    
    print("\nWhat is the final concentration of each chemical you desi
+re \(wt \%\):\n");

    $vDI = 0;    
        
    foreach (@choices)
    {
    if ($_ != $solvent)
    {    
            while ($testSix !=1)   # this will make sure that a numeri
+cal answer is given
            {
                print("\n$because{$_} \(in \%\):  ");
                $answer2 = <STDIN>;
                chomp($answer2);
        
                if ($answer2 =~ m/\d/ || $answer2 =~ m/\d/){$testSix =
+ 1;}  # searching for a numererical answer
            
            }
            $answer2 = $answer2 / 100;
            $testSix = 0;
            $c2i{$_} = $answer2;
        }
    }
    
    $percentsolvent = 1;
    foreach (@choices)
    {
        $foo = $because{$_};
        $percentsolvent = $percentsolvent - ($c2i{$_} / $concentration
+{$foo});
    }
    
    
    foreach (@choices)
    {
        $chemName3 = $because{$_};
        
        $estdensity = $estdensity + (($c2i{$_} / $concentration{$chemN
+ame3}) * $density{$chemName3});


    }    
    $solvName = $because{$solvent};
    
    $estdensity = $estdensity + ($percentsolvent * $density{$solvName}
+);
    
    
    
#    print("\nestdensity = $estdensity\n");
    
    $volSolv = $totalsize;
    
    foreach (@choices)
    {
        if ($_ != $solvent)
        {
            $chemName2 = $because{$_};
            $concRatio = $c2i{$_} / $concentration{$chemName2};
            $totalmass = $totalsize * $estdensity;
            $mass{$_} = $concRatio * $totalmass;
            $volume{$_} = $mass{$_} / $density{$chemName2};
            $volSolv = $volSolv - $volume{$_};
        }
    }
        
    print("\nHere are the volumes you need to fill:\n\n");        
    foreach (@choices)
    {
        if ($_ != $solvent)
        {
            $volume{$_} = $volume{$_};
#            $volume{$_} = $volume{$_} * 100;
#            $volume{$_} = int($volume{$_});
#            $volume{$_} = $volume{$_} / 100;
            print("$because{$_}:\t\t$volume{$_} L\n");
        }
        

    }    

#    $volSolv = $volSolv * 100;
#    $volSolv = int($volSolv);
#    $volSolv = $volSolv / 100;
    print("$because{$solvent}:\t\t$volSolv L\n");
    
    &ASK;
    
}

sub RATIO
{

print <<DONE
    
*******************************************************************
*                                                                 *
*   This Utility will give you an estimate of the concentration   *
*   of material in your bath given a known pour up ratio.         *
*                                                                 *
*                                                                 *
*******************************************************************   
+ 
    
DONE
    
    
    ;$true = 1;    #this is for the BASIC_QUESTION sub, to know whethe
+r or not to ask for total volume...
    &BASIC_QUESTIONS;
    # At this point, we have all the chemical choices in the @choices 
+array using the keys of %because
    # Now we need to take the chemicals we have and find out the ratio
+ of chemicals in the final bath...

    while ($testOne != 1){
    print("\nAre you using mass or volume ratios (m or v):  ");
    $mORv = <STDIN>;
    chomp($mORv);

    if ($mORv =~ m/[mM]/ || $mORv =~ m/[vV]/){$testOne = 1;}   #lets m
+ake sure we have m's and v's as answers...
    
    };
    
    
    
    print("\nPlease provide the ratio of the chemicals you have select
+ed:  \n");
    foreach (@choices)
    {  
        while ($testTwo !=1)   # this will make sure that a numerical 
+answer is given
        {
            print("\n$because{$_}:  ");
            $answer = <STDIN>;
            chomp($answer);
        
            if ($answer =~ m/\d/ || $answer =~ m/\d/){$testTwo = 1;}  
+# searching for a numererical answer
            
        }
        
        $testTwo = 0;   # need to reset the test or else goodbye!
        
        $ratio{$_} = $answer;                    #Put all answers into
+ the ratio hash for later use
        $chemName = $because{$_};
        if ($mORv eq "v" || $mORv eq "V")          #i like to work in 
+weight percent so this does the ratio conversion
        { 

            $ratio{$_} = $ratio{$_} * $density{$chemName}; 
        }

        $wtPureAmt{$_} = $ratio{$_} * $concentration{$chemName};

        $A = $ratio{$_};
        $B = 1 - $concentration{$chemName};
        $C = $A * $B;
        
        $residualWater = $residualWater + $C;  #becasue most chemicals
+ have water in them, lets add the residual water together
    }
    
    $sumTotal = 0;
    foreach (@choices)
    {
        $sumTotal = $sumTotal + $ratio{$_};  #calculate the total mass
+ of chemical in the bath
    }
    
    print("\nHere are the weight percents:\n\n");        
    foreach (@choices)
    {

        if ($_ == 1)
        {
            $wtPureAmt{$_} = $wtPureAmt{$_} + $residualWater;
        }
        $chemName2 = $because{$_};
        $wtPercent{$_} = $wtPureAmt{$_} / $sumTotal;

#        print("WtPercent = $wtPercent{$_}\n");
#        print("PureAmt = $wtPureAmt{$_}\n");
        
        
        
        #print $sumTotal;
        $percent = $wtPercent{$_}*100000;    #these next three lines a
+re for displaying to two sig figs, since I don't know another way to 
+do this...
        $percent = int($percent);
        $percent = $percent / 1000;
        print("$because{$_}:\t\t$percent \%\n");
        
        
        #        $volPercent{$_} = $wtPercent{$_} / 
    }
    
    $DI_PRESENT = 0;
    
    foreach (@choices)
    {
        if ($_ == 1) {$DI_PRESENT = 1};
    }
    
    if ($residualWater != 0 && $DI_PRESENT != 1) {   #I want to displa
+y the residual water if I haven't already accounted for it in the DI 
+water answer
        $DI_Percent = $residualWater / $sumTotal;
        $DI_Percent = $DI_Percent * 10000;
        $DI_Percent = int($DI_Percent);
        $DI_Percent = $DI_Percent / 100;
        print("Water:\t\t$DI_Percent\%\n");
    }
        
    &ASK;
}



sub QUIT            #This is for GOODBYE and GOOD RIDANCE!
{print("\nHope this helped!  See you next time...\n");}

sub sort_by_number   #This is for sorting the hashes / arrays in the s
+cript in numerical order...
{
        if ($a < $b)
        {
            return -1;
        }
        elsif ($a == $b)
        {
            return 0;
        }
        else
        {
            return 1;
        }
}

sub BASIC_QUESTIONS
{
    
        if ($true == 0)
    {
        while ($fourTest != 1)
        {
            print("\nWhat is the size of your bath in liters:  ");
            $totalsize = <STDIN>;
            chomp($totalsize);
            if ($totalsize =~ m/\d/) {$fourTest = 1;}
        }
    }

        
    print ("\nHow many chemicals in the mixture (include DI as a chemi
+cal):  ");


        $numChems = <STDIN>;
        chomp($numChems);
        
            # Now we need to find which chemicals are going to be in t
+he bath...
    print("\n\n\tCHEMICAL LIST\n");

    foreach (sort sort_by_number keys(%because))
        {
            print("$_\.\t$because{$_}\n");
        };

    $selection = 1;

    #this section puts all the chemicals into the @choices array      
+  
    for ($i = 0; $i < $numChems; $i++)
        {

            print("\nChemical #$selection:  "); 
            $selection++;

            while ($fiveTest != 1)
            {
                $chemchoice = <STDIN>;
                chomp($chemchoice);
            if ($chemchoice =~ m/\d/) {$fiveTest = 1;}
            if ($fiveTest == 0){print ("I need a numerical answer:  ")
+;}
            }
            $fiveTest = 0;
            
            
            
            push (@choices, $chemchoice);
        };
        
        
    #if we don't have the chemical already, we need to add them to the
+ existing hash
    $inc = 0;
    foreach(@choices)
        {
            
            if ($_ == 14)
                {
                    #no error checking in here, if you are adding your
+ own stuff, you better be sure it is right!

                            print("\nChemical Name:  ");
                            $othName = <STDIN>;
                            chomp($othName);
                            print ("\nChemical Concentration of Pure M
+aterial\(in percent\):  ");
                            $othConc = <STDIN>;
                            chomp($othConc);
                            $othConc = $othConc * 0.01;
                            print ("\nChemical Density of Pure Materia
+l(g/mL):  ");
                            $othDen = <STDIN>;
                            chomp($othDen);
                            $density{$othName} = $othDen;
                            $concentration{$othName} = $othConc;
                            
                            $othIndex = 14 + $inc;
                            $because{$othIndex} = "$othName";
                            $choices[$inc] = $othIndex;
                }
            $inc++;    
        }
}

sub ASK
{
    print("\nAre you finished (y or n):  ");
    $quitornot = <STDIN>;
    chomp($quitornot);
    undef (@choices);
    undef ($fiveTest);
    undef ($fourTest);
    undef ($DI_PRESENT);
    undef ($true);
    undef ($vDI);
    undef ($testSix);
    undef ($testOne);
    undef ($testTwo);
    undef ($residualWater);
    undef ($volSolve);
    undef ($c2i);
    undef ($percentsolvent);
    undef ($foo);
    undef (@ratio);
    undef (@wtPercent);
    undef (@wtPureAmt);
    undef ($estdensity);
    
    
    if ($quitornot eq "y" || $quitornot eq "Y")

          {
            &QUIT;

          } 
          
        elsif ($quitornot eq "n" || $quitornot eq "N")

          {
            &CHOICE;

          }
        
        else 
          {
              print ("\nThat is not an option...try again.\n");
              &ASK;

          };
}

sub ASSUME
{
    print("\n\nHere are the assumptions used in the calculations:\n");
    
    print("\n\nThe following densities were used \(g/mL\):\n");
    foreach (sort keys(%density))
        {
        
        print("$_\t$density{$_}\n");
        }
    print("\n\nThe following concentrations were used:\n");
    foreach (sort keys(%concentration))
        {
        
        print("$_\t$concentration{$_}\n");
        }
        
    print("\nWhen calculating the amount of material to pour up a bath
+, the density of the entire solution is assumed to be the mass percen
+t weighted average of the components.");
        
    &ASK;

    }
[download]

deleted someone took offense to the bad humor.


SciDude
The first dog barks... all other dogs bark at the first dog.

Thank you for your reply. I've fixed the problem. I have the updated code at work and will post the fixed code when I get a chance. I forgot to undef a variable that I was incrementing, resulting in a problem... Sorry and I will update ASAP. Thanks again.

Actually, to make another reply... The reason you are getting the negative number is because peroxide is only sold industrially as a 30% solution. Therefore, it is impossible to add HF (which comes as a 49% solution max) to any amount of peroxide, and get a 30% solution. If you look at the assumptions made in the program, you can see the concentrations that were assumed. If you have access to a higher concentration of peroxide, than you will have to add it as an "Other" or modify the code. Thanks again, David