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Eugene
@datastory@mstdn.ca  ·  activity timestamp 4 days ago

💧 In my geochemical research, I often go beyond pure PHREEQC and use the RedModRphree package in R.
It’s a powerful bridge between thermodynamic modeling and data analysis — allowing Pourbaix (Eh–pH) diagrams to be computed for complex, multicomponent systems with a focus on a specific element.

Here are examples of modeled speciation diagrams for vanadium, lead, and zinc, based on the same high mineralized water sample composition.
They clearly illustrate how each element behaves under changing redox and pH conditions — from soluble oxyanions to sparingly soluble solid phases.

#Geochemistry #Rstats #PHREEQC #DataScience #EnvironmentalChemistry #Hydrogeology #Redox #PourbaixDiagram #Thermodynamics #OpenScience #RedModRphree

Pourbaix (Eh–pH) diagrams generated with RedModRphree for V.
Pourbaix (Eh–pH) diagrams generated with RedModRphree for V.
Pourbaix (Eh–pH) diagrams generated with RedModRphree for V.
Pourbaix (Eh–pH) diagrams generated with RedModRphree for Pb.
Pourbaix (Eh–pH) diagrams generated with RedModRphree for Pb.
Pourbaix (Eh–pH) diagrams generated with RedModRphree for Pb.
Pourbaix (Eh–pH) diagrams generated with RedModRphree for Zn.
Pourbaix (Eh–pH) diagrams generated with RedModRphree for Zn.
Pourbaix (Eh–pH) diagrams generated with RedModRphree for Zn.
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Eugene
@datastory@mstdn.ca  ·  activity timestamp 4 days ago

💧 In my geochemical research, I often go beyond pure PHREEQC and use the RedModRphree package in R.
It’s a powerful bridge between thermodynamic modeling and data analysis — allowing Pourbaix (Eh–pH) diagrams to be computed for complex, multicomponent systems with a focus on a specific element.

Here are examples of modeled speciation diagrams for vanadium, lead, and zinc, based on the same high mineralized water sample composition.
They clearly illustrate how each element behaves under changing redox and pH conditions — from soluble oxyanions to sparingly soluble solid phases.

#Geochemistry #Rstats #PHREEQC #DataScience #EnvironmentalChemistry #Hydrogeology #Redox #PourbaixDiagram #Thermodynamics #OpenScience #RedModRphree

Pourbaix (Eh–pH) diagrams generated with RedModRphree for V.
Pourbaix (Eh–pH) diagrams generated with RedModRphree for V.
Pourbaix (Eh–pH) diagrams generated with RedModRphree for V.
Pourbaix (Eh–pH) diagrams generated with RedModRphree for Pb.
Pourbaix (Eh–pH) diagrams generated with RedModRphree for Pb.
Pourbaix (Eh–pH) diagrams generated with RedModRphree for Pb.
Pourbaix (Eh–pH) diagrams generated with RedModRphree for Zn.
Pourbaix (Eh–pH) diagrams generated with RedModRphree for Zn.
Pourbaix (Eh–pH) diagrams generated with RedModRphree for Zn.
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