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This article is cited in 1 scientific paper (total in 1 paper)
Cloud service for solving chemical kinetics problems using parallel computing
M. V. Sakhibgareevaab, E. I. Glushchenkoab, L. V. Enikeevaca, G. M. Sharipovaa a Project Group "Galo GO", 32 Validy Str., Ufa 450076, Russian Federation
b LLC "RN-UfaNIPIneft", 3-1 Bekhterev Str., Ufa 450103, Russian Federation
c Institute of Petrochemistry and Catalysis, Russian Academy of Sciences, 141 Oktyabr Ave., Ufa 450075, Russian Federation
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.
Keywords:
mathematical chemistry; cloud computing; reaction kinetics; processing experimental data; reaction mechanisms; parallel processing; inverse problems; SaaS.
Received: 06.08.2016
Citation:
M. V. Sakhibgareeva, E. I. Glushchenko, L. V. Enikeeva, G. M. Sharipova, “Cloud service for solving chemical kinetics problems using parallel computing”, Sistemy i Sredstva Inform., 27:1 (2017), 155–166
Linking options:
https://www.mathnet.ru/eng/ssi509 https://www.mathnet.ru/eng/ssi/v27/i1/p155
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