Chemical Workbench Reactor Models
Chemical WorkBench reactor models meant for simulation of chemical processes in specified geometry or idealized flow condition based on detailed multistep kinetic mechanism of the processes. Thus, geometry and boundary conditions for most of the reactor models are obviously simplified to allow the user to concentrate on the kinetic part of the problem, which is highly important for kinetic mechanism development and reduction, at the early stages of development, when not all details can be specified, and also for conceptual design purposes. In addition, the choice of hydrodynamically simplified reactor models allows Chemical WorkBench to work effectively with very large kinetic mechanisms (including thousands of species and tens thousands of elementary steps), which is typical of present-day applications, such as real heavy hydrocarbon fuels, non-equilibrium plasma processes, and so on. Chemical WorkBench also allows the customer to use all reactor models as elementary bricks in Chemical Design Desktop for constructing a virtual representation of a complex process or technology
Chemical WorkBench includes a wide range of reactor models for many industry-specific applications. It is distributed in several application-oriented bundles, which simplifies the choise of an appropriate reactor set for a particular problem.
The overview and brief description of Chemical WorkBench reactor models is given bellow.
Thermodynamic Models
A set of models for calculating the thermodynamic properties of multicomponent mixture.
Gas-Phase Kinetic Models
Various models for general gas-phase kinetic modeling
Flame model
Premixed Flame reactor is a 1D model for calclulation of mixture laminar burning velocity and flame front structure.
Heterogeneous Kinetic Models
A set of models for surface chemistry modeling
Non-Equilibrium Plasma Models
A set of sophisticated models for non-equilibrium plasma process. Along with thermal kinetic processes, the models take into account electron energy distribution function derived from the Boltzman equitation.
Detonation and Aerodynamic Models
A set of models for estimating wave parameters and modeling advanced propulsion systems
Membrane Separation Models
A membrane reactor model for calculating separation characteristic of membrane unit
Mechanism Analysis and Reduction
A tool set for kinetic mechanism analysis and reduction