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Author Topic: Including initial concentration in USER_GRAPH output  (Read 894 times)

AzadGhadirian

  • Contributor
  • Posts: 8
Including initial concentration in USER_GRAPH output
« on: 27/01/25 11:24 »
Hello all!

I am currently working on the visualization of my phreeqc results.
So I have modeled a pretreatment of a brackish water by adding NaOH and aerating the water with ambient air. The Goal is to precipiate CaCO3 and MgCO3. Later I will compare the results with other methods like aerating with Gas with higher CO2 content etc.

My problem is that the User Graph does not visualize the initial concentration of Ca and Mg but starts with the concentration after the first Reaction-step. The highest precipitation of Ca and Mg is in the first step so it is important to also show that.
I have researched the User Forum and different User Graph functions but couldn't find a solution yet...

I would be very greatful if someone has an idea how to fix this problem!
Thank you very much and all the best,
Azad

SOLUTION 1
    temp      22.4
    pH        7.57
    pe        4
    redox     pe
    units     ppm
    density   1
    C(4)      1 CO2(g)     -3.374 #basiert auf p(co2)=0,00042
    Ntg       1 Ntg(g)     -0.107 '#basiert auf p(n2)=0,78
    Oxg       1 Oxg(g)     -0.677 #basiert auf p(o2)=0,21
    Ba     1.71
    Ca        360
    Cl        2753 charge
    K         124
    Mg        140
    Na        1757
    S(6)      1784
    Si        25.53
    -water    1 # kg


EQUILIBRIUM_PHASES 1
    CO2(g)    -3.374 10
    Ntg(g)    -0.107 10
    Oxg(g)    -0.677 10
   Gypsum 0 0
   Barite 0 0
   Magnesite 0 0
   SiO2(a) 0 0
   Calcite 0 0

REACTION 1
    NaOH     1
    0.72 moles in 10 steps


USER_GRAPH 1
    -headings               Volume_water Calcite Magnesite pH
    -axis_titles            "Mol NaOH zugegeben" "Gramm-ausgefallen" "pH"
    -initial_solutions      false
    -connect_simulations    false
    -plot_concentration_vs  x
  -start
10 graph_x RXN
20 graph_y EQUI("Calcite")#*100
30 graph_y EQUI("Magnesite")#*84.3
40 graph_sy -LA("H+")
  -end
    -active                 true


USER_GRAPH 2
    -headings               Volume_water Ca Mg pH
    -axis_titles            "Mol NaOH zugegeben" "Gramm in L?sung" "pH"
    -initial_solutions      false
    -connect_simulations    false
    -plot_concentration_vs  x
  -start
10 graph_x RXN
20 graph_y TOT("Ca")
30 graph_y TOT("Mg")
40 graph_sy -LA("H+")
  -end
    -active                 true

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dlparkhurst

  • Global Moderator
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  • Posts: 4062
Re: Including initial concentration in USER_GRAPH output
« Reply #1 on: 27/01/25 16:11 »
Use the following in each USER_GRAPH:

Code: [Select]
    -initial_solutions      true
    -connect_simulations    true

Please use the # button at the top of the text box to enter code.
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AzadGhadirian

  • Contributor
  • Posts: 8
Re: Including initial concentration in USER_GRAPH output
« Reply #2 on: 28/01/25 13:23 »
Oh yes, of course! Thank you very much!
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