Features

Application features

General-purpose, stand-alone stochastic chemical kinetics simulator
Well suited for modeling both simple and complex chemical kinetics in gas, solution and solid phases
Useful for chemical processes involving large dynamic ranges of variables, fluctuations and instabilities
Requires no additional programming by the user
Supports simulation under conditions of
- constant, variable and programmed temperature
- constant and variable volume
- constant and variable pressure
- constant and programmed voltage
- programmed external stimulus
- constant electrostatic field
File import/export capabilities
Complete User's Manual
Rich library of example simulations
Tutorials for new users
Available in 64-bit versions for
- Microsoft Windows (x86_64 architecture)
- Linux (x86_64 architecture)
- Apple's MacOS (Apple Silicon and x86_64 architecture)
Portable reaction file format may be opened on all supported platforms

Reaction schemes may be constructed as a single reactor model, or as compartmental or three-dimensional models
Simulates materials transport and diffusion in parallel with chemical kinetics
Reaction mechanism entered in conventional, user-defined notation
Single-valued or Arrhenius rate constants
User-configurable time, energy and concentration units
Independently selectable temperature, volume, voltage and pressure conditions
Capability for isothermal, adiabatic, and programmed temperature reactions
Capability for electrochemical reactions
Capability for use of an external stimulus to control reaction kinetics
Capability for use of an electrostatic field to control ion transport
Pressure and volume can be held constant or allowed to vary
Equilibrium detection and emulation function that can dramatically improve simulator performance
No pre-defined limit on the number of reaction steps, species or compartments in a mechanism
Stochastic algorithm uses 64-bit computation

Visual, on-screen tools for construction of compartmental and three-dimensional reaction schemes
Simulation results viewed in two and three-dimensional graphical formats
Any number of reaction schemes loaded into memory at once
Every window has full on-line, context-sensitive online help
Integrated notebook
Visual indicators to track progress of a simulation
Simulations can be interrupted to view results, and later resumed from the point of interruption
Multiple simulations can be carried out simultaneously
Flexible graphical display of simulation results
Animated views of three-dimensional simulation results can be recorded to a video file.
Direct overlay of experimental results on simulated data
Text-based listings of reaction schemes
Export of three-dimensional simulation results in CSV, XDMF and binary formats
Visual simulation inspector allows the user to single-step through and backtrace the execution of a simulation
locale-specific display of numeric and time/date values
Export and import of reaction and transfer steps in text-based CSV format