Application of computational methods for creating and selecting polymeric compositions with given properties

Автор: Derbisher Evgenia Vyacheslavovna, Derbisher Vyacheslav Evgenievich

Журнал: Математическая физика и компьютерное моделирование @mpcm-jvolsu

Рубрика: Моделирование, информатика и управление

Статья в выпуске: 1 т.22, 2019 года.

Бесплатный доступ

The article discusses current mathematical methods (probabilistic, regression, correlation, fuzzy, graph, and others) used in the study of the structure and property dependencies of polymer compositions and polymer composite materials. The authors consider the methodology and theoretical aspects of modeling these dependencies, give technological calculations using models. The paper provides examples of the analysis of the particular case of complex chemical and chemical-technological systems, polymer compositions and composite (polymer) materials. The authors show a possible solution to the problems of assessing the quality of composite polymer materials and the rational choice of the composition in homogeneous sets using fuzzy sets.

Еще

Chemical-technological systems, polymer composites, mathematical modeling, identification, fuzzy sets, optimization problem, choice of ingredients

Короткий адрес: https://sciup.org/149129852

IDR: 149129852   |   DOI: 10.15688/mpcm.jvolsu.2019.1.4

Список литературы Application of computational methods for creating and selecting polymeric compositions with given properties

  • Askadskiy A.A., Kondrashchenko V.I. Kompyuternoe materialovedenie polimerov. Atomno-molekulyarnyy uroven [Computer Materials Polymers. Atomic and Molecular Level]. Moscow, Nauchnyy mir Publ., 1999. 543 p.
  • Barlow R. Vvedenie v khimicheskuyu farmakologiyu [Introduction to Chemical Pharmacology]. Moscow, Izdatelstvo inostrannoy literatury Publ., 1959. 464 p.
  • Belokurova A.P., Burmistrov V.A., Ageeva T.A. Termomekhanicheskiy metod issledovaniya polimerov: metodicheskie ukazaniya k laboratornomu praktikumu po khimii i fizike polimerov [Thermomechanical Method for the Study of Polymers: Guidelines for Laboratory Practice in Chemistry and Physics of Polymers]. Ivanovo, Ivanovo State University of Chemical Technology, 2006. 36 p.
  • Besse A.L. Mnogoobraziya Eynshteyna [Einstein's Manifolds]. Moscow, Mir Publ., 1990. 384 p.
  • Bobryshev A.N., Erofeev V.T., Kozomazov V.N. Polimernye kompozitsionnye materialy [Polymeric Composite Materials]. Moscow, Izdatelstvo ASV Publ., 2013. 480 p.
  • Bondarev A.B. Prognozirovanie tsiklicheskoy dolgovechnosti polimernykh kompozitsionnykh materialov: dis.. kand. tekhn. nauk [Prediction of Cyclic Durability of Polymer Composite Materials. PhD Dissertation]. Lipetsk, 2011. 180 p.
  • Borisevich S.S., Yanborisov V.M. Raschet fiziko-khimicheskikh svoystv polimernykh materialov [Calculation of Physico-Chemical Properties of Polymeric Materials]. Ufa, UGES Publ., 2011. 31 p.
  • Derbisher V.E., Germashev I.V., Bodrova G.G. Kolichestvennaya otsenka effektivnosti termo- i fotostabiliziruyushchikh dobavok v polimernykh kompozitakh na osnove predstavleniy o nechetkikh mnozhestvakh [Quantitative Assessment of the Effectiveness of Thermal and Photostabilizing Additives in Polymer Composites Based on Ideas About Fuzzy Sets]. Vysokomolekulyarnye soedineniya, 1997, vol. 39, no. 6, pp. 960-964.
  • Derbisher E.V., Germashev I.V., Derbisher V.E. Analiz svoystv ingredientov polimernykh kompozitsiy s ispolzovaniem nechetkikh mnozhestv [Analysis of the Properties of Ingredients of Polymer Compositions Using Fuzzy Sets]. Izvestiya VolgGTU. Ser. Aktualnye problemy upravleniya, vychislitelnoy tekhniki i informatiki v tekhnicheskikh sistemakh, 2007, vol. 2, no. 2, pp. 28-31.
  • Dol A.V., Ivanov D.V. Vvedenie v teoriyu uprugosti [Introduction to the Theory of Elasticity]. Saratov, Amirit Publ., 2016. 28 p.
  • Germashev I.V., Vasilyeva V.D., Derbisher V.E., Derbisher E.V., Silina A.Yu. Primenenie teorii nechyotkikh mnozhestv dlya resheniya zadach khimicheskoy tekhnologii [Application of the Theory of Fuzzy Sets for Solving Problems of Chemical Technology]. Informatsionnye tekhnologii [Information Technologies], 2009, vol. 15, no. 5, pp. 72-79.
  • Germashev I.V., Derbisher V.E. Svoystva unimodalnykh funktsiy prinadlezhnosti v operatsiyakh s nechetkimi mnozhestvami [Properties of Unimodal Membership Functions in Operations with Fuzzy Sets]. Izvestiya vuzov. Matematika [Russian Mathematics], 2007, vol. 51, no. 3, pp. 77-80.
  • Germashev I.V., Derbisher V.E., Derbisher E.V., Markushevskaya E.A. Analiz nechetkikh dannykh dlya optimizatsii khimiko-tekhnologicheskikh sistem [Analysis of Fuzzy Data for the Optimization of Chemical-Technological Systems]. Informatsionnye tekhnologii [Information Technologies], 2018, vol. 24, no. 3, pp. 153-160.
  • Germashev I.V., Derbisher V.E., Orlova S.A. Otsenka aktivnosti antipirenov v elastomernykh kompozitsiyakh s pomoshchyu nechetkikh mnozhestv [Evaluation of Activity of Flame Retardants in Elastomeric Compositions Using Fuzzy Sets]. Kauchuk i rezina, 2001, no. 6, pp. 15-17.
  • Germashev I.V., Derbisher E.V., Derbisher V.E. Prinyatie resheniy o vybore ingredientov polimernykh kompozitsiy v usloviyakh nechyotkoy informatsii [Making Decisions on the Choice of Ingredients of Polymer Compositions in Conditions of Fuzzy Information]. Plasticheskie massy [Plastics], 2007, no. 7, pp. 24-27.
  • Germashev I.V., Derbisher V.E., Zotov Yu.L., Tsapleva M.N., Konnova E.V., Vasilyev P.M. Kompyuternoe konstruirovanie aktivnykh dobavok dlya polivinilkhlorida [Computer Design of Active Additives for Polyvinyl Chloride]. Plasticheskie massy [Plastics], 2001, no. 7, pp. 36-38.
  • Germashev I.V., Derbisher V.E., Tsapleva M.N., Derbisher E.V. Kompyuternoe konstruirovanie khimicheskikh soedineniy s zadannymi svoystvami [Computer Design of Chemical Compounds with Desired Properties]. Teoreticheskie osnovy khimicheskoy tekhnologii [Theoretical Foundations of Chemical Technology], 2004, vol. 38, no. 1, pp. 90-95.
  • Goldman A.Ya. Prognozirovanie deformatsionno-prochnostnykh svoystv polimernykh i kompozitsionnykh materialov [Prediction of Deformation and Strength Properties of Polymeric and Composite Materials]. Leningrad, Khimiya: Leningradskoe otdelenie Publ., 1988. 271 p.
  • Johnson K. Uravnenie Gammeta [Hammett Equation]. Moscow, Mir Publ., 1977. 240 p.
  • Kablov V.F, Sinkov A.V. Additivnye tekhnologii v proizvodstve polimernykh izdeliy [Additive Technologies in the Production of Polymer Products]. Volzhsky, VPI (filial VolgGTU) Publ., 2018. 21 p.
  • Kerber M.L. Polimernye kompozitsionnye materialy. Struktura. Svoystva. Tekhnologiya [Polymeric Composite Materials. Structure. Properties. Technology]. SPb, TsOP «Professiya» Publ., 2014. 560 p.
  • Kryzhanovskiy V.K., Burlov V.V. Prikladnaya fizika polimernykh materialov [Applied Physics of Polymeric Materials]. SPb, SPbGTI Publ., 2001. 261 p.
  • Kuleznev V.N., Shershnev V.A. Khimiya i fizika polimerov [Chemistry and Physics of Polymers]. Moscow, Vysshaya shkola Publ., 1988. 312 p.
  • Nechetkie mnozhestva i teoriya vozmozhnostey. Poslednie dostizheniya [Fuzzy Sets and the Theory of Possibilities. Recent Achievements]. Moscow, Radio i svyaz Publ., 1986. 408 p.
  • Nizhniy S.V., Epstein N.A. Kolichestvennye sootnosheniya «khimicheskaya struktura - biologicheskaya aktivnost» [Quantitative ‘‘Chemical Structure - Biological Activity" Relations]. Uspekhi khimii [Russian Chemical Reviews], 1978, vol. 47, no. 4, pp. 739-772.
  • DOI: 10.1070/RC1978v047n04ABEH002225
  • Norkin V.S., Tikhomirov S.G. Prognozirovanie svoystv polimernykh kompozitsiy na baze metodov iskusstvennogo intellekta [Prediction of Properties of Polymer Compositions Based on Artificial Intelligence Methods]. Nauka, obrazovanie, obshchestvo: tendentsii i perspektivy razvitiya: materialy V Mezhdunarodnoy nauchno-prakticheskoy konferentsii. (Cheboksary, 27 maya 2017g.) Cheboksary, TsNS «Interaktiv plyus» Publ., 2017, vol. 1, no. 6, pp. 26-230.
  • Omran K. Prognozirovanie vibratsionnoy bezopasnosti avtomobilya s vtorichnoy sistemoy podressorivaniya kuzova iz polimernykh kompozitsionnykh materialov: avtoreferat dis.. kand. tekh. nauk [Prediction of the Vibration Safety of a Car with the Secondary Suspension System of the Body Made of Polymer Composite Materials. PhD Dissertation]. Moscow, 2007. 16 p.
  • Pasechnik M.V., Kucher E.A. Matematicheskoe modelirovanie protsessov sshivki sostavlyayushchikh polimernoy kompozitsii [Mathematical Modeling of the Processes of Cross-Linking the Components of the Polymer Composition]. Vostochno-Evropeyskiy zhurnal peredovykh tekhnologiy [East European Journal of Advanced Technologies], 2016, vol. 2, no. 6, pp. 4-12.
  • Pen V.R., Levchenko S.I. Modelirovanie metodom Monte-Karlo destruktsii makromolekul so slozhnoy topologicheskoy strukturoy [Monte Carlo Simulation of the Destruction of Macromolecules with a Complex Topological Structure]. Modern high technologies, 2008, no. 6, pp. 45-46.
  • Rodionov A.A., Olshevskiy M.V. Matematicheskoe modelirovanie fiziko-khimicheskikh protsessov v atmosfere goroda [Mathematical Modeling of Physicochemical Processes in the Atmosphere of a City]. Shkola molodykh uchenykh pri 10-oy mezhdunarodnoy konferentsii Matematicheskie metody v khimii i khimicheskoy tekhnologii: Tez. dokl. [School of Young Scientists at the 10th International Conference Mathematical Methods in Chemistry and Chemical Technology] Tula, Goskomvuz RF Publ., 1996, pp. 195-196.
  • Rozenblit A.B., Golender V.E. Logiko-kombinatornye metody v konstruirovanii lekarstv [Logical and Combinatorial Methods in Drug Design]. Riga, Zinatne Publ., 1983. 352 p.
  • Samarskiy A.A., Gulin A.V. Chislennye metody [Numerical Methods]. Moscow, Nauka Publ., 1989. 432 p.
  • Solovev V.N. Prognozirovanie radiatsionnogo stareniya polimernykh materialov: dis.. dokt. tekh. nauk [Prediction of Radiation Aging of Polymeric Materials. Doctor Dissertation]. Moscow, 2001. 248 p.
  • Startsev O.V., Anikhovskaya L.I., Litvinov A.A., Krotov A.S. Povyshenie dostovernosti prognozirovaniya svoystv polimernykh kompozitsionnykh materialov pri termovlazhnostnom starenii [Increasing the Reliability of Predicting the Properties of Polymer Composites in Hygrothermal Aging]. Doklady Akademii nauk. Khimicheskaya tekhnologiya [Doklady Chemistry], 2009, vol. 428, no. 1, pp. 56-60.
  • Shirvanyants D.G., Khalatur P.G. Kompyuternoe modelirovanie polimerov [Computer Modeling of Polymers]. Tver, Tverskoy gosudarstvennyy universitet Publ., 2000. 156 p.
  • Askadskii A.A. Computational Materials Science of Polymers. Cambridge, Cambridge International Science Publishing, 2001. 650 p.
  • Goodford P.G. Prediction of Pharmacological Activity by the Method of Physicochemical - Activity Relationships. Advances in Pharmacology and Chemotherapy, 1973, vol. 11, pp. 51-97.
  • Hansch C., Fujita T. ρ σ π Analysis. A Method for the Correlation of Biological Activity and Chemical Structure. Journal of American Chemical Society, 1964, vol. 86, no. 8, pp. 1616-1626.
  • Hansch C., Maloney P.P., Fujita T. Correlation of Biological Activity of Phenoxyacetic Acids with Hammett Substituent Constants and Partition Coefficients. Nature, 1962, vol. 194, no. 4824, pp. 178-179.
  • Hansch C., Muir R.M., Fujita T., Maloney P.P., Geiger F., Streich M. The Correlation of Biological Activity of Plant Growth Regulators and Chloromycetin Derivatives with Hammett Constants and Partition Coefficients. Journal of American Chemical Society, 1963, vol. 85, no. 20, pp. 2817-2824.
  • Khalatur P.G. Computer Simulations of Polymer Systems. New York, Gordon and Breach Publ., 1996. 487 p.
  • Navratil M., Kolomaznik K., Kresalek V. Approach to Mathematical Model of the Cross-linking Reaction of Polymer Composite. AT&P journal PLUS2, 2007, vol. 1, pp. 21- 23.
  • Wulkow M. Computer Aided Modeling of Polymer Reaction Engineering. Macromolecular Reaction Engineering, 2008, vol. 2, iss. 6, pp. 461-494.
Еще
Статья научная