Systems and Means of Informatics
2017, Volume 27, Issue 1, pp 155-166
CLOUD SERVICE FOR SOLVING CHEMICAL KINETICS PROBLEMS USING PARALLEL COMPUTING
- M. V. Sakhibgareeva
- E. I. Glushchenko
- L. V. Enikeeva
- G. M. Sharipova
Abstract
This work considers an application of cloud computing solving chemical kinetics problems. The designed SaaS (Software-as-a-Service) cloud service makes it possible to provide remote access to universal tools used to study kinetics and mechanisms of complex chemical reactions; to automate the mathematical modeling process, starting from the stage of reaction mechanisms preparation; to form and store experimental and reported data; and to solve kinetic problems of construction of multistage chemical processes. Solving inverse problems of physical chemistry, as well as sensitivity and uncertainty analysis, requires a considerable amount of computation; so, the use of parallel computing technologies is required. The article describes the architecture of a cloud service and shows the results of an integrated approach to modeling the inhibitory oxidation reaction of n-decane with the representation of effectiveness of parallelization calculation series.
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[+] About this article
Title
CLOUD SERVICE FOR SOLVING CHEMICAL KINETICS PROBLEMS USING PARALLEL COMPUTING
Journal
Systems and Means of Informatics
Volume 27, Issue 1, pp 155-166
Cover Date
2017-03-30
DOI
10.14357/08696527170111
Print ISSN
0869-6527
Publisher
Institute of Informatics Problems, Russian Academy of Sciences
Additional Links
Key words
mathematical chemistry; cloud computing; reaction kinetics; processing experimental data; reaction mechanisms; parallel processing; inverse problems; SaaS
Authors
M. V. Sakhibgareeva  ,  ,
E. I. Glushchenko , ,
L. V. Enikeeva ,  ,
and G. M. Sharipova , 
Author Affiliations
Project Group "Galo GO," 32 Validy Str., Ufa 450076, Russian Federation
LLC "RN-UfaNIPIneft," 3-1 Bekhterev Str., Ufa 450103, Russian Federation
Institute of Petrochemistry and Catalysis of the Russian Academy of Sciences, 141 Oktyabr Ave., Ufa 450075, Russian Federation
Bashkir State University, 32 Validy Str., Ufa 450076, Russian Federation
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