Part of CAPE-OPEN standard version 1.0.
The Chemical Reactions interface specification describes two primary CAPE-OPEN components: Reactions Package and Reactions Package Manager, and introduces the concept of a Reaction object as a mechanism for passing reaction data between a CAPE-OPEN compliant Process Modelling Environment (PME) and a Reactions Package component.
A Reactions Package Manager component is a factory for the set of Reactions Packages that it manages and it may act as a tool for constructing new Reactions Packages.
A Reactions Package contains the definition of a set of kinetic reactions for a defined set of compounds and phases. It allows a client to request the calculation of Reaction Properties, for example the reaction rate. A Reactions Package may allow a client to reconfigure the reactions that it defines, for example to change activation energies.
Equilibrium Reactions are supported by combining the concepts of the Reactions Package and the CAPE-OPEN thermodynamic Property Package. The resulting Property Package supports both the Property Package and the Reactions Package interfaces. The combined set of interfaces allows a client to request the calculation of equilibrium reaction properties and thermodynamic property calculations from a single package.
This document is consistent with version 1.0 of the CAPE-OPEN Thermodynamic and Physical Properties interface specification.
Chemical Reactions Interface Specification: current document released in August 2003 (PDF, 511 Kbytes).
Special mention: the current interface design suffers from several issues, the main one being its distance with the Thermodynamic and Physical Properties interface specification in version 1.1. Consequently this interface specification document is under revision by the Thermo Special Interest Group (Thermo SIG) since 2011. Progress on this revision process can be asssessed through the activity reports provided by the Thermo SIG.