Kintech Lab - Intagrated Tools for Inventive Solutions

Publications

1.      G.V.Belov, M.A.Deminsky, V.S.Iorish, B.V. Potapkin. The information system on physico-chemical properties of software package “Chemical Workbench”. Proc. Of the XXX CALPHAD Conference, UK, p.34, 2001.

2.      G.V.Belov , M.A.Deminsky, V.S.Iorish , Potapkin B.V. The Information System on Physico-Chemical Properties of Software Package “Chemical Workbench”, CALPHAD, 2003 conference.

3.      G.V.Belov , M.A.Deminsky, V.S.Iorish , Potapkin B.V. The Information System on Physico-Chemical Properties of Software Package “Chemical Workbench”, // Handout of XI international conference on computational mechanics and modern applied software packages, Moscow-Istra, 2-6 July 2001, p. 75-76. (in Russian). 

4.      M. Deminsky, V. Chorkov, G. Belov, I. Cheshigin, A. Knizhnik, E. Shulakova, M. Shulakov, I.Iskandarova, V. Alexandrov, A. Petrusev, I. Kirillov, M. Strelkova, S. Umanski, B. Potapkin. Chemical Workbench––integrated environment for materials science. Computational Materials Science, vol. 28, Issue 2, October 2003, pp. 169–178.

5.      G.V.Belov, M.A.Deminsky, P.R.Levashov, Potapkin B.V. Expertize of creation informational-inquiry system of Software Package “Chemical Workbench”// Proc. of the XIV International conference on computational mechanics and modern applied software packages, Alushta, Crimea, 25-31 May 2005 – Moscow: Vuzovskaya kniga, 2005 – p. 81-82. (in Russian).

6.      G.V. Belov, Thermodynamic reactors in Software Package “Chemical Workbench”//Handout of the XV International conference on chemical thermodynamics in Russia, V. 1, Moscow, 27 June – 2 July 2005, p. 60 (in Russian).

7.      M.A.Deminsky, A.Amosov, V.L.Alexandrov, G.V.Belov, V.Chorkov, I.M.Iskandarova, I.A.Kirillov, A.A.Knizhnik, A.A.Korkin, S.A.Losev, A.S.Petrusev, B.V.Potapkin, D.V.Shirabajkin, M.A.Shulakov, E.V.Shulakova, A.L.Sergievska, M.Stoker, S.Ya.Umanskii. Integrated Software Systems for New Process and Materials Design. Proc. of 2003 Annual Meeting Conference, San Francisco, California, USA, 16 – 21 November, 2003.

8.      B.V.Potapkin, D.V.Shirabajkin. Khimera presentation. US-Russian Workshop on Software Development (SWN2003), Arizona State University, Tempe, AZ, USA, 13-15 November, 2003.

9.      Adamson S.O., Belov G.V., Deminsky M.A., et al. Software package for thermodynamic data supply //12th International IUPAC Conference on High Temperature Materials Chemistry, Vienna, Austria, September 17-22, 2006.- P20.

10.   K. P. Novoselov, D. B. Shirabaikin, S. Ya. Umanskii, A. S. Vladimirov, A. K. Minushev, A. A. Korkin, Chimera: A Software Tool for Reaction Rate Calculations and Kinetics and Thermodynamics Analysis, Journal of Computational Chemistry Vol. 23, No. 14, 1375-1389. 

Films:

11.   A.A. Knizhnik, A.A. Bagaturyants, I.V. Belov, B.V. Potapkin, A.A. Korkin. An integrated kinetic Monte Carlo molecular dynamics approach for film growth modeling and simulation: ZrO2 deposition on Si(100) surface. Computational Materials Science,  vol.24, Issues 1-2, May 2002, pp. 128-132.

12.   M. Deminsky, A.Knizhnik, I.Belov, S.Umanskii, E.Rykova, A. Bagatur’yants, B.V. Potapkin and A.A.Korkin. Mechanism and Kinetics of  Zirconium and Hafnium Oxides Thin Film Growth in  ALD Reactor. Proc. of the conference “Nano and Giga Challenges in Microelectronics Research and Opportunities in Russia”, 2002, р. 102.

13.   A.A.Knizhnik, M.A. Deminskii, I.V. Belov, S.Ya. Umanskii, E.A. Rykova, A.A. Bagatur’yants, B.V. Potapkin, M. Stoker, and A.A. Korkin. Mechanism and Kinetics of Thin Zirconium and Hafnium Oxide Film Growth in an ALD Reactor, Surface Science, vol. 549, Issues 1, 10 January 2004, pp. 67-86.

Combustion:

14.   Strelkova, M.I., Umanskiy, S.Y., Liventsov, V.V., Kirillov, I.A., Potapkin, B.V.,Varatharajan, B., Dean, A.Tentner, A. Elaboration of  high-temperature full and skeletal detailed mechanism of Jet-A ignition. Proceedings of the 5 International Colloquium on  Pulsed and continuous detonation. Moscow, Russian Federation, 2006.

15.   M.I. Strelkova, I.A. Kirillov, B.V. Potapkin, S.Ya.Umanskiy, A.A. Bagatur'yants,A.Safonov, L.Sukhanov, S.M.Frolov, A.A.Borisov, K.Y.Troshin, M.A. Deminsky,A. Dean, B. Varathrajan, A.M. Tentner.  First principles based multilevel construction and experimental verification of the mechanism of aviation kerosene surrogate combustion. Proceedings of the 19 Internat. Symp. on Gas Kinetics. Orleans, France, 2006.

16.   M.I.Strelkova , I.A.Kirillov, B.V.Potapkin, S.Ya.Umanskiy, A.A. Bagatur'yants, A.Safonov, V.V.Liventsov, M.A. Deminsky, A.Dean, B.Varatharajan,  A. Tentner. Quantitative Estimation of the Static and Dynamic Parameters of Jet A-Air Detonation from the First Principles Calculations. Proceedings of the 8th Asia-Pacific International Symposium on Combustion and Energy Utilization. Sochi, Russian Federation, 2006.

17. M.I. Strelkova, I.A. Zaev, M.V. Okun, I.A.A. Kirillov, B.V. Potapkin, V.E. Tangirala, A.J.Dean, A.M. Tentner, Validation of the Short Kinetic Mechanism for Jet A-Air Detonative Combustion: One Dimensional Benchmarking, Proceedings of the 43d AIAA/ASME/SAE/ASEE Joint Propulsion Conference & Exhibit, Cincinnati, OH, USA, 2007.

18.   M.I.Strelkova, A.A.Safonov, L.P.Sukhanov, A.Zizin, S.Ya.Umanskiy, M.A.Deminsky, A.A.Bagatur'yants, I.A.Kirillov, B.V.Potapkin, A.Dean, B.Varatharajan, A.Tentner. Detailed and Reduced Mechanisms of Jet A Combustion at Low and High Temperatures. Proceedings of  21th International Colloquium on the Dynamic of Explosions and Reactive Systems, Poitiers, France, 2007. 

19.   M.I. Strelkova, A.A. Safonov, L.P. Sukhanov, S.Ya.Umanskiy, M.A. Deminsky, I.A. Kirillov, B.V. Potapkin,  A.J. Dean,  B.Varatharajan, A.M. Tentner. Detailed and Reduced Mechanisms of Jet A Combustion at High Temperatures. Combustion Science and Technology, 180:10, 1788-1802. 

20.   M.I. Strelkova , V.V. Liventsov, I.A. Kirillov, B.V. Potapkin, S.Ya. Umanskiy, A.A.Bagatur'yants, A.A.Safonov, A. Dean,  B.Varatharajan, A.Tentner. Quantitative Estimation of the Static and Dynamic Parameters of Jet A-Air Combustion and Detonation from the First Principles Calculations. Proceedings of 43rd AIAA/ASME/43rd AIAA/ASME/SAE/ASEE Joint Propulsion Conference, AIAA Paper 2007-5640. Cincinnati, OH, 2007.

21.   M. I. Strelkova, I. A. Kirillov, B. V. Potapkin, A. A. Safonov, L. P. Sukhanov, S. Ya. Umanskiy, M.A.Deminsky, A. J. Dean, B. Varatharajan, A. M. Tentner, Detailed and Reduced Mechanisms of Jet A Combustion at High Temperatures. Combust. Sci. and Tech., 180: 1788–1802, 2008.

22.  M.I.Strelkova, A.A.Safonov, L.P.Sukhanov, S.Ya.Umanskiy, I.A.Kirillov, B.V.Potapkin, H.J.Pasman, A.Dean, A. M. Tentner, First principles based elaboration of the low temperature skeletal mechanism of n-butane oxidation. Proceedings of 7th ISHPMIE – St. Petersburg, Russia, July 7–11, 2008.

23.   Alexander Gutsol (2009), "Warm discharges for fuel conversion" , in Handbook on Combustion, V. 5: New Technologies (ed. A. Agarwal), Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

24.   Lee, H.M. "Innovative Plasma Gasifier for Conversion of Biomass into Syngas," 2008 Taiwan-Japan Bilateral Workshop on the Applications of Plasma to Green Environmental Technology, Tokyo and Oita, Japan, March 4-9, 2008.

Plasma:

25. S. Adamson, V. Astapenko, I. Chernysheva, V. Chorkov, M. Deminsky, G. Demchenko, A. Demura, A.Demyanov, N. Dyatko, A. Eletzkii, A. Knizhnik, I. Kochetov, A. Napartovich, E. Rykova, L. Sukhanov, S. Umanskii, A. Vetchinkin, A. Zaitsevskii and B. Potapkin, Multiscale multiphysics nonempirical approach to calculation of light emission properties of chemically active nonequilibrium plasma: application to Ar-GaI3 system. J.Phys.D, 40(2007) 3857-3881. 

26.   Astapenko V., Bagatur'yants A., Chernishova I., Deminsky M., Eletskii A., Kirillov I., Knizhnik A., Potapkin B., Rykova E., Umanskii S., Zaitsevskii A., Strelkova M., Sukhanov L., Safonov A., Cotzas G.M., Dean A., Michael J.D., Midha V., Smith D.J., Sommerer T.J., Varatharajan B., Adrian Tentner A. First-principles-based development of kinetic mechanisms in chemically active light-emitting nonthermal plasmas and gases. AIP Conf. Proc., 901, 204-214 (2007).

27.   M. Deminsky, A. Eletskii, I. Kirillov, A. Knizhnik, V. Khorkov, M. Okun, E. Rykova, S. Umanskii, A.Zaitsevskii, M. Strelkova, L. Sukhanov, A. Safonov, B. Potapkin, First-Principles-Based Multiscale Approach to the Development of Kinetic Mechanisms in Reactive, Light-Emitting Non-thermal Plasmas and Gases.The 2008 Gordon Research Conference (GRC) on Plasma Processing Science, 12-23 July 2008 at the Mount Holyoke College, South Hadley, MA.

28.   S.I. Gritsinin, P.A. Gushchin, A.M. Davydov, E.V. Ivanov, I.A. Kossyi, M.A. Misakyan. High-pressure microwave discharge as a plasmachemical converter of hydrocarbons. // 19th International Symposium on Plasma Chemistry Bochum, Germany, July 26th - 31st, 2009.

29.   S.I.Gritsinin, P.A.Guschin, A.M.Davydov, E.V.Ivanov, I.A.Kossyi, M.A.Misakyan. High-Pressure Microwave Discharge as Plasmachemical Converter of Carbohydrates // 7th International Workshop on "Microwave Discharges: Fundamentals and Applications", Hamamatsu, Japan, September 23-27, 2009. 

30.   Chen, H.L.; Lee, H.M.; Chen, S.H.; Chang, M.B. Influence of Temperature on the Oxidation of NO to NO2 via Nonthermal Plasma with Hydrocarbons Addition, The 18th International Symposium on Plasma Chemistry (ISPC-18), Kyoto, Japan, (Aug. 26-31, 2007).

31.   Lee, H.M.; Yan, J.M.; Yang, M.S.; Chen, Y.C.; Huang, M.H.; Chen, S.H.; Chen, H.L.; Wu, Y.W.; Chang, M.B.; Diesel NOx Emission Control with Microdischarge Plasmas, The 4th International Workshop on Microplasmas (IWM-4), Tainan, Taiwan, Oct. 28-31, 2007.

32.   Lee H.M.; Chen H.L.; Chang M.B.; Wu Y.W.; Chen Y.C.; Numerical simulation of nonthermal plasmas for dieseil NOx treatment, 2007 Conference on the Air Pollution Control Technology, Kaohsiung, Taiwan, Nov. 23-24 2007. (in Chinese)

33.   Chang M.B.; Chen H.L.; Wu Y.W.; Lee H.M.; Chen S.H.; Investigation on the Reaction Mechanisms and Characteristics of Plasma Catalysis, Institute of Nuclear Energy Research, Paper #: INER-A1540R, Longtan, Taiwan, 2007. (in Chinese)

34.  S.I.Gritsinin, P.A.Guschin, A.M.Davydov, E.V.Ivanov, I.A.Kossyi, M.A.Misakyan. Atmospheric Pressure Microwave Discharge as Plasmachemical Converter of Carbohydrates // International scientific and technical conference „Energy effectiveness 2009”, Krakow, Poland, 21-23 September 2009. (in Russian).

35.   W. Hartmann, T. Hammer, T. Kishimoto, M. Römheld, A. Safitri, Ozone Generation in a wire-plate pulsed corona plasma reactor, 32nd IEEE International Conference on Plasma Science, 18th – 23rd June 2005, Monterey, CA.

36. Maxim A. Deminsky, Igor V. Kochetov, Anatoly P. Napartovich and Sergey B. Leonov, Modeling of Plasma Assisted Combustion in Premixed Supersonic Gas Flow, International Journal of Hypersonics
Volume 1 · Number 4 · December 2010

37. M.Deminsky, I.Chernysheva, S. Umanskii, M.Strelkova, A. Baranov, I.Kochetov, A.Napartovich, T.Sommerer, B.Potapkin, Plasma assisted low temperature combustion of methane-air mixture (in press)
Appendixes to this paper, and the example in the Chemical Workbench 4.0 format are here:

Plasmo-chemical_Mechanism_of_methane_combustion_-_part_I.doc

Plasmo-chemical_Mechanism_of_methane_combustion_-_part_II.doc

Kintech_CH4-Air_plasma-chemistry.zip

Moscow Institute of Physics and Technology (MIPT) has practical training session on chemical physics which includes the following computer-based tasks elaborated on the basis of Chemical Workbench:

1. Chemical equilibrium of thermal dissociation and fusion reactions in molecular gases.

2. Kinetics of chain branched reaction of oxygen and hydrogen.

For more details see http://bio.fizteh.ru/student/files/chmoph/practicum/pdf_vers/ (in Russian).