Thermodynamic dataset editor

I especially enjoy that I can add reactions to the database in TEdit and it recalculates them to reflect the dataset's basis. I do a lot of editing of the thermodynamic database and this feature makes it a lot easier. This is a big advantage of the GWB over any other package!

– Robert Hansen, Exigo3, South Africa

TEdit is a graphical editor in the GWB for creating and modifying thermodynamic and surface reaction datasets.

Add and delete entries
Add and delete entries

Don't be intimidated by lengthy thermochemical datasets. TEdit enables you to

  • Add new species step-by-step
  • Enter reactions and log Ks directly as they appear in the literature
  • Take the guesswork out of cross-checking virial coefficients
  • Show species by composition
  • Sort alphabetically with a click or reorder manually
  • Quickly trim unwieldy datasets down to size

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Transfer thermodynamic data
Transfer entries

You can copy and paste or drag and drop entries from one dataset to another. When transferring data, TEdit will

  • Rebalance reactions and recalculate log Ks as necesarry
  • Preserve log Ks when the principal temperatures match
  • Alert you when additional data is required
  • Prevent transfer between incompatible datasets

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Recast reactions and log Ks
Recast reactions and log Ks

TEdit quickly and transparently performs the tedious tasks you've been putting off.

  • Use swaps to rebalance reactions
  • Automatically recalculate log Ks

Exchange the position of primary and secondary species in your datasets. You can exchange

  • Basis and Redox species
  • Basis and secondary aqueous species
  • Redox and secondary aqueous species

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Flexible redox pivots
Drag and drop panes

When O2(aq) is in the list of basis species, it is the redox pivot and H2(aq) is a redox couple. You balance

  • the electron's reaction using O2(g) or O2(aq)
  • redox coupling reactions with O2(g), O2(aq), or e-

When H2(aq) is the redox pivot, you balance

  • the electron's reaction using H2(g) or H2(aq)
  • redox coupling reactions with H2(g), H2(aq), or e-

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Surface datasets
Surface datasets

Quickly create sorption and ion exchange datasets.

  • Kd, Freundlich, and Langmuir sorption models
  • Ion exchange datsets using the Gaines-Thomas, Vanselow, or Gapon convention

Robust options for constructing surface complexation models

  • Two-layer model, including constant capacitance and potential variations
  • Three-layer and CD-MUSIC models
  • Any number of sorbing sites and minerals; choose site density units
  • Choice of polydentate complexation formalisms; 1-pKa or 2-pKa reactions

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