Chemical Workbench - Integrated Environment for Materials Science
M. Deminsky
,
,
a,
V. Chorkovb,
G. Belovc,
I. Cheshiginb,
A. Knizhnikb,
E. Shulakovab,
I. Iskandarovab,
V. Alexandrovb,
A. Petruseva,
I. Kirillova,
M. Strelkovaa,
S. Umanskid,
B. Potapkina
aRRC ``Kurchatov Institute'', Kurchatov Sq. 1, 123182, Moscow, Russia
bKinetic Technologies, Kurchatov Sq. 1, 123182, Moscow, Russia
cThermocentre, IHED, IVTAN Association of RAS, Izhorskaya 13/19, Moscow, Russia
dN.N. Semenov Institute of Chemical Physics of RAS, Kosygina 4, 117977, Moscow, Russia
Current environmental problems and industrial needs require the permanent modification and improvement of existing technologies or the implementation and design of new technological methods. One of the most effective and cheapest ways to meet real practical requests and needs and development of new methods is balanced combination of experimental investigation and computer-aided simulation and technology design. In turn, the best way to develop a 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 development of a new model.
Author Keywords: chemical kinetics, thermodynamics, computer-aided simulation, database
