The Geochemist’s Workbench is a set of software tools for manipulating chemical reactions, calculating stability diagrams and the equilibrium states of natural waters, tracing reaction processes, modeling reactive transport, plotting the results of these calculations, and storing the related data. The Geochemist's Workbench® has from its introduction in 1991 set the standard in geochemical modeling. With its crisp user interface, fully integrated graphics, highly optimized algorithms, and advanced software architecture, the GWB makes quick work of geochemistry tasks small and large.
Already a GWB user? Your GWB 2023 subscription brings solid solutions, SIT activity coefficients, and the ChemPlugin self-linking software object included with GWB Professional at no extra charge. With the all new TEdit thermo data editor, you can import thermo datasets from PhreeqC, and import and export EQ3/EQ6 databases! An all new compute engine makes the GWB a surface chemistry powerhouse. Plus, subscribers benefit from user equations in GSS datasheets, high-temperature Pitzer coefficients, cluster computing, and flexible input for thermo data, just to start.
The Geochemist’s Workbench is a set of software tools for manipulating chemical reactions, calculating stability diagrams and the equilibrium states of natural waters, tracing reaction processes, modeling reactive transport, plotting the results of these calculations, and storing the related data. The Workbench, designed for personal computers running MS Windows, is distributed in four packages:
- GWB Essentials contains tools for balancing reactions, calculating activity diagrams, computing speciation in aqueous solutions, plotting the results of these calculations, and storing the related data.
- GWB Standard contains the tools included in GWB Essentials, as well as a program for modeling reaction processes.
- GWB Professional includes all the programs in the Standard release, plus programs for modeling reactive transport in one and two dimensions, and for plotting modeling results. The package also includes programs for constructing phase diagrams. Finally, the package includes the ChemPlugin self-linking software object.
- GWB Advanced Professional extends the package to include MPI versions of the reactive transport models for use on computing clusters, the ChemPlugin self-linking software object adapted for cluster computers, and other specialized codes.
The GWB Essentials release consists of seven programs:
- GSS stores analyte and sample data in a spreadsheet specially developed to work with the GWB set of software tools.
- Rxn automatically balances chemical reactions, calculates equilibrium constants and equations, and solves for the temperatures at which reactions are in equilibrium.
- Act2 calculates and plots stability diagrams on activity and fugacity axes. It can also project the traces of reaction paths calculated using the React program.
- Tact calculates and plots temperature-activity and temperature-fugacity diagrams and projects the traces of reaction paths.
- SpecE8 calculates species distributions in aqueous solutions, the saturation state of minerals and solid solutions, and the fugacity and partial pressure of gases. SpecE8 can account for sorption of species onto mineral surfaces according to a variety of methods, including surface complexation and ion exchange. SpecE8 can additionally figure the fractionation of stable isotopes.
- Gtplot graphs SpecE8 results and GSS datasets, including on xy plots, ternary, Piper, Durov, and Stiff diagrams.
- TEdit displays, modifies, and creates the thermodynamic and surface reaction datasets used by the various GWB applications.
The GWB Standard release also includes the program:
- React, in addition to having the capabilities of SpecE8, traces reaction paths involving fluids, minerals, solid solutions, and gases. React can also predict the fractionation of stable isotopes during reaction processes. The simulation results can be rendered with Gtplot.
The GWB Professional release contains the additional programs:
- Phase2 is an extension of React used to calculate phase diagrams.
- P2plot draws the phase diagrams calculated by Phase2.
- X1t simulates reactive transport in one-dimensional systems. The program has all of React’s geochemical modeling capabilities coupled with groundwater flow and transport.
- X2t simulates reactive transport in two-dimensional systems.
- Xtplot plots in map view and as xy plots the results of reactive transport simulations made using X1t and X2t.
- ChemPlugin is a self-linking software object for building reactive transport models in any configuration, and for repurposing flow models as reactive transport simulators.
GWB Advanced Professional adds:
- cX1t and cX2t, parallel processing versions of X1t and X2t for use on computing clusters.
- ChemPlugin_MPI, a cluster computing version of ChemPlugin.
- Other specialized software; contact the developers for current information.
Each of the programs operates in a similar fashion, so once you learn to use one, you will find the others easy to work with.
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