| Spreadsheet for geochemical data |
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| Convert chemical units |
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| Time series, cross, and ternary plots |
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| Piper, Stiff, Durov, Schoeller diagrams |
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| Configure Stiff, Schoeller, and Radial diagrams from user interface |
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| Multiple Stiff, Schoeller, Radial, Bar, and Pie plots per page |
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| Show TDS as circles of varying radius on Piper, other plots |
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| Ion balance bar and pie charts |
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| Flag non-compliance |
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| Evaluate equations within datasheets |
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| Calculate mineral saturation and gas fugacity |
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| Mix samples |
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| Compare replicates and check standards |
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| Calculate redox state |
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| Check charge balance |
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| Compute TDS |
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| Eh-pH, activity, and fugacity diagrams |
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| Temperature-activity and temperature-fugacity diagrams |
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| Solubility diagrams |
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| Mosaic (ligand speciation) diagrams |
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| Calculate species’ concentration and activity coefficients |
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| Redox equilibrium and disequilibrium |
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| Use “Pitzer equations” to compute activity coefficients |
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| Evaluate “Pitzer equations” at high temperature |
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| Sorption by Kd, Freundlich, and Langmuir models |
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| Ion exchange |
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| Two-layer and 1-pKa surface complexation |
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| Triple-layer and CD-MUSIC surface chemistry |
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| Polydentate surface complexes |
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| Stable isotope fractionation |
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| Calculate electrical conductivity by USGS and APHA methods |
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| Gas and mineral buffering; pH-stat |
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| Partial pressure model |
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| Balance chemical reactions |
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| Compute equilibrium constants (log Ks) at temperature |
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| Derive equilibrium equations, temperatures |
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| Set line colors individually on x-y plots |
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| Paste graphs into Word, PowerPoint, Excel, Adobe Illustrator |
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| Choose 32 bit or even faster 64 bit version |
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| Option to automatically install maintenance releases |
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| Edit and combine thermodynamic datasets |
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| Create and edit datasets of surface reactions |
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| Flexible redox pivoting in thermodynamic datasets |
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| Dashboard keeps all your tools in one place |
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| Save graphics as eps, pdf, ai, png, emf, svg, and bmp files |
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| Plug-in to other programs |
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| Control scripts and batch processing |
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| Edit thermo and surface datasets in legacy formats |
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| Model water-rock interaction |
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| Simulate fluid mixing |
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| Speciation diagrams vs. pH, etc. |
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| Closed and open chemical systems |
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| Polythermal simulations |
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| Fixed and sliding activity, fugacity |
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| Combine equilibrium and kinetic reactions |
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| Kinetics of mineral precipitation and dissolution |
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| Aqueous complexation and dissociation kinetics |
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| Sorption and desorption kinetics |
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| Kinetics of redox transformation |
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| Enzymes and catalysts |
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| Gas transfer kinetics |
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| Microbial catalysis and growth |
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| Mixed microbial communities |
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| Thermodynamic constraint on microbial metabolism |
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| Specify form of kinetic rate laws |
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| Chain together kinetic reaction paths |
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| Turbo scripting speeds rate law evaluation |
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| Transient medium and fluid properties |
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| Account for heat sources and sinks |
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| Report factors limiting time steps |
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| Paste any plot into Excel as numerical data |
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| Compute phase and "true" speciation diagrams |
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| Reactive and bioreactive transport |
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| Multithreaded (parallel execution on multicore chips) |
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| Advection, dispersion, and diffusion |
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| Uniform or heterogeneous medium |
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| Dual porosity (stagnant zones) |
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| Advective and conductive heat transfer |
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| Colloidal transport |
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| Stable isotope transport |
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| Any number of boundary, injection fluids |
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| Unlimited number of reaction intervals |
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| Turn wells off and on, vary pumping rates |
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| Recirculation wells |
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| Import flow fields |
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| Linear, radial, and spherical coordinates in 1-D |
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| Rectilinear and axisymmetric coordinates in 2-D |
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| Regular and adaptive grids |
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| Map view, color mask, and contour plots |
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| Animation and output for video |
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| Quick video output to compact frame images |
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