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Author Topic: Combining eperiments on one graph  (Read 705 times)

Charlie

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  • Posts: 167
Combining eperiments on one graph
« on: January 14, 2020, 10:38:10 AM »
Is there a simple method to combine results onto one graph for easy comparison. 

Eg. Solubility of mineral X as a function of H2O evaporation from the solution, for different pCO2?  I'd like to show several curves in one graph.
Thanks
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dlparkhurst

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  • Posts: 2483
Re: Combining eperiments on one graph
« Reply #1 on: January 14, 2020, 04:40:11 PM »
Here is an example of calcite solubility as a function of evaporation and PCO2. Hopefully, it is similar to what you need or can be modified.
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Charlie

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  • Posts: 167
Re: Combining eperiments on one graph
« Reply #2 on: January 15, 2020, 05:22:06 PM »
Thanks David that's very helpful. I can edit to my requirements.

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Charlie

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  • Posts: 167
Re: Combining eperiments on one graph
« Reply #3 on: January 16, 2020, 12:09:42 PM »
One further question please David - is it possible to label the curves uniquely in the legend? This input below produces curves all with the same label. Not sure how to fix that..

#####
TITLE Sepiolite precipitation

SOLUTION 1
    temp      25
    pH        7
    units     ppm
    density   1
    Mg        100
    Si        100
    Cl        1 charge

EQUILIBRIUM_PHASES 1
    CO2(g)    -3.5 10
    sepiolite   0 0.0
REACTION 1
    H2O        -1
    55.5 moles in 25 steps

USER_GRAPH 1
-chart_title      "Sepiolite precipitation 1"
    -headings              Evaporation pCO2(g)_-3.5 pCO2(g)_-2.4 pCO2(g)_-1.4
    -axis_titles            "Evaporation Loss (%)" "Mg (mg/l)"
    -initial_solutions      false
    -connect_simulations    false
    -plot_concentration_vs  x
  -start
10 GRAPH_X RXN / 55.5 * 100    # CONVERT REACTION TO % MOLES H2O EVAPORATED
20 GRAPH_y TOT("Mg")*24.305e3
##30 GRAPH_y TOT("Mg")*24.305e3
##40 GRAPH_y TOT("Mg")*24.305e3
  -end
    -active                 true
end

USER_GRAPH 2
-chart_title      "Sepiolite precipitation 2"
    -headings              Evaporation pCO2(g)_-3.5 pCO2(g)_-2.4 pCO2(g)_-1.4
    -axis_titles            "Evaporation Loss (%)" "SI sepiolite"
    -initial_solutions      false
    -connect_simulations    false
    -plot_concentration_vs  x
  -start
10 GRAPH_X RXN / 55.5 * 100    # CONVERT REACTION TO % MOLES H2O EVAPORATED
20 GRAPH_y SI("sepiolite")
  -end
    -active                 true
end

USE solution 1
USE reaction 1
EQUILIBRIUM_PHASES 1
    CO2(g)    -2.4 10
    sepiolite   0 0.0
END

USE solution 1
USE reaction 1
EQUILIBRIUM_PHASES 1
    CO2(g)    -1.4 10
    sepiolite   0 0.0
END

« Last Edit: January 16, 2020, 12:50:34 PM by Charlie »
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dlparkhurst

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  • Posts: 2483
Re: Combining eperiments on one graph
« Reply #4 on: January 16, 2020, 04:14:19 PM »
You can change -headings, if that is all you change. So, you can add something like the following for each reaction definition. My emended calcite example is attached.

USER_GRAPH 1
    -headings               Log(Cl) CO2_-1.4
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Charlie

  • Admin
  • Posts: 167
Re: Combining eperiments on one graph
« Reply #5 on: January 16, 2020, 05:21:51 PM »
Thanks - that's very helpful indeed.   Here's my new working version for everyone's reference:

##########################################################

SOLUTION 1
    temp      25
    pH        7
    units     ppm
    density   1
    Mg        100
    Si        100
    Cl        1 charge

EQUILIBRIUM_PHASES 1
    CO2(g)    -3.5 10
    sepiolite   0.0 0.0
REACTION 1
    H2O        -1
    55.5 moles in 20 steps

USER_GRAPH 1
-chart_title      "Sepiolite precipitation"
  -headings              Evaporation pCO2(g)-3.5
    -axis_titles            "Evaporation Loss (%)" "Moles sepiolite"
    -initial_solutions      false
    -connect_simulations    false
    -plot_concentration_vs  x
  -start
10 GRAPH_X RXN / 55.5 * 100    # CONVERT REACTION TO % MOLES H2O EVAPORATED
20 GRAPH_y EQUI("sepiolite")
  -end
    -active                 true



USER_GRAPH 2
-chart_title      "Sepiolite precipitation"
  -headings              Evaporation pCO2(g)-3.5
    -axis_titles            "Evaporation Loss (%)" "Mg mg/l"
    -initial_solutions      false
    -connect_simulations    false
    -plot_concentration_vs  x
  -start
10 GRAPH_X RXN / 55.5 * 100    # CONVERT REACTION TO % MOLES H2O EVAPORATED
20 GRAPH_y TOT("Mg")*24.305e3 
  -end
    -active                 true
end
END

USER_GRAPH 1
    -headings Evaporation pCO2(g)-2.4
USER_GRAPH 2
    -headings Evaporation pCO2(g)-2.4
USE solution 1
USE reaction 1
EQUILIBRIUM_PHASES 1
    CO2(g)    -2.4 10
    sepiolite   0.0 0.0
END

USER_GRAPH 1
    -headings Evaporation pCO2(g)-1.4
USER_GRAPH 2
    -headings Evaporation pCO2(g)-1.4
USE solution 1
USE reaction 1
EQUILIBRIUM_PHASES 1
    CO2(g)    -1.4 10
    sepiolite   0.0 0.0
END
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