Reaction Design Announces CHEMKIN 3.7.1
Reaction Design has added new Applications and extended the capabilities
of existing Applications to significantly enhance the number and types
of problems that can be addressed with CHEMKIN. This page contains a
summary of the new release.
You
can download
the full release or contact Reaction
Design to request a
CD. If you are updating CHEMKIN 3.7, a
patch is available also. If you are not a member of our Members
Area, you will need to register in
order to download CHEMKIN.
Highlights of What's New in CHEMKIN 3.7.1
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For some applications, the gas inlet flow rate varies with time.
An example is a model of engine aftertreatment where the engine-out
data is the input to the aftertreatment model. With the latest release
of CHEMKIN users can model these problems successfully. The capability
is available for a single perfectly stirred reactor (PSR) and PSR
network models within the CHEMKIN Application, AURORA.
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Sensitivity analysis is a useful feature that enables users to determine
the sensitivity of species concentration and temperature to gas-phase
and surface reactions rates. The transient sensitivity analysis in
the latest release is as much as five times faster than Release 3.7.
In addition, the user now has more control over the saving of sensitivity
analysis results for transient simulations, which streamlines post-processing.
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Additional new post-processing capabilities include:
- Key-component conversion percentages, useful for fuel reforming
and catalytic conversion calculations
- Integrated deposition rate, for transient deposition calculations
in Chemical Vapor Deposition (CVD) simulations
- Dry mole fractions to match traditional chemical engineering
units
- Cross-sectional area averages for boundary layer channnel flow
reactor (CRESLAF) simulation results
- Reaction rates of progress for all CHEMKIN Applications
- Ability to view Internal Combustion Engine model results as
a function of crank angle rather than traditional time unit
Highlights of What's New in CHEMKIN 3.7
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New Partially Stirred Reactor Application (PaSR) allows
users to explore turbulent kinetic interactions by simulating both
the mixing process and the detailed kinetics that may occur in
combustion systems.
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New Reactor Network capability. Using the AURORA
Application, users can now create reactor networks, including recycling
of outflow streams to one or more reactors in the network, and
multiple inlet streams. The reactor network can be run in both
transient and steady-state.
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New TWAFER and OVEND Applications. These two Applications
simulate the heat transfer and chemical vapor deposition processes within
batch furnaces for semiconductor processing of wafers in horizontal or
vertical batch reactors.
Initialization and Restart from XML-based Solution Files. As
a result of a new XML-based common data format, Application runs may
now use the solution of any other Application to automatically provide
initial conditions. For example, PLUG may start from an AURORA solution;
CRESLAF may start from a PLUG solution. The Application User Interface
allows selection of the XML file for either initialization or full restart
using the new Restart button.
User Control of Units in Graphical Post-processor. The
CHEMKIN Graphical Post-processor allows users to select the units used
for the solution data before it is plotted, including both SI and cgs
options.
More Powerful Graphical Post-processor. The CHEMKIN
Graphical Post-processor will perform a variety of derived calculations
at the user's request. These include: species rates of production, reaction
heat production rates, alternate normalization of sensitivity data, linear
deposition (or etch) rates, emissions indices for common pollutant species.
These are just the highlights. For more information on the
new features and enhancements in CHEMKIN Release 3.7, see the CHEMKIN
3.7.1 Release Notes or request
more information from Reaction Design.
Information on Previous Releases
Information on Supported Platforms
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