Chemical workbench as an open platform for chemical process modeling
G. V. Belov,
M. A. Deminsky
(
), I. V. Chegishin,
V. A. Chorkov, A. A. Knizhnik, E. V. Shulakova, M. A. Shulakov,
A. S. Petrusev, I. A. Kirillov, B.V. Potapkin
Kinetic Technologies, 1, Kurchatov Sq., Moscow, 123182 Russia.
Current environmental problems and industrial needs require the permanent
modification and improvement of existing technologies or the implementation
and design of the new technological methods. One of the most effective and
cheapest ways to meet real practical requests and needs and new methods
development can be a computer-aided simulation and technologies design. In
turn, the cheapest way to develop simulation tool for a new chemical process
is to use an integrated simulation environment, which incorporates all
necessary functionality and thus can reduce the cost of the new model
development. Chemical WorkBench is such integrated platform, which is opened
for incorporation of new models of chemical processes. The Chemical WorkBench
meets main requirements for the open simulation platform: a) integrity: the
code includes the all essential tools, which are required for complete cycle
of chemically-centered simulation – visual flowsheet designer, chemical
reaction scheme generator, substance and chemical reaction databases, visual
post-processor; b) modularity: the code is based on a modular principle which
permits to construct technology chains or processes models from universal
reactor modules simulating the separate steps of processes and easily add new
reactor modules, which meet predefined module interface; c) built-in
information support: the code includes extended databases of physical-chemical
properties, which can be accessed by all reactors through the universal data
objects.