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Exploratory research project, funded by CNCSIS, program PN II “Idei” Code CNCSIS ID_458 Contract no. 546/14.01.2009

Exploratory research project, funded by CNCSIS, program PN II “Idei” Code CNCSIS ID_458 Contract no. 546/14.01.2009. LAMINAR PROPAGATION OF DEFLAGRATIONS IN ISOCHORIC FUEL/AIR SYSTEMS - EXPERIMENTAL STUDY AND KINETIC MODELING OF COMBUSTION. Director: Dr. Domnina RAZUS.

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Exploratory research project, funded by CNCSIS, program PN II “Idei” Code CNCSIS ID_458 Contract no. 546/14.01.2009

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  1. Exploratory research project, funded by CNCSIS, program PN II “Idei” Code CNCSIS ID_458 Contract no. 546/14.01.2009 LAMINAR PROPAGATION OF DEFLAGRATIONS IN ISOCHORIC FUEL/AIR SYSTEMS - EXPERIMENTAL STUDY AND KINETIC MODELING OF COMBUSTION Director: Dr. Domnina RAZUS Duration: 14.01.2009 – 30.11.2011

  2. Summary The project aims at examination of fast gas-phase oxidation of fuel/air systems, propagating in enclosures as explosions in deflagration regime and determination of normal burning velocity, an important characteristic parameter of explosion propagation. The project will be realized by an experimental study on fuel/air explosion in confined conditions and by kinetic modeling of gas-phase oxidation. propane is chosen as representative fuel. the objectives of the project are: (1) determination of normal burning velocity from experimental measurements on unsteady propane-air flames; (2) determination of normal burning velocity from the kinetic modeling on propane-oxygen reaction, using a complex reaction mechanism and taking into account radiative losses during propagation. experimental activities consist of monitoring explosions performed in a constant volume explosion vessel, for propane-air mixtures with variable initial composition, pressure and temperature, by means of pressure and flame position records. from such measured characteristics, the normal burning velocity will be calculated for (a) the early stage of propagation, using the cubic law, and (b) the whole duration of the process, using the mass fraction of burned gas valid for an adiabatic combustion. the kinetic modeling will be made with an advanced package, using a complex reaction mechanism based on a large number of species with 1-3 carbon atoms (molecules and radicals) and a large number of elementary steps. besides normal burning velocities, the kinetic model delivers temperature and species profiles across the flame front. the hypotheses concerning the chosen mechanism and the heat losses during flame propagation will be validated by examination of computed and measured concentrations of main chemical species and of burning velocities, at various initial compositions, pressures and temperatures.

  3. Objectives 2009 • Upgrade of experimental set-up, aiming to improvement of the installation for preparing gaseous explosive mixtures. Ellaboration of adequate protocols for preparation and operation with gaseous explosive mixtures at elevated pressures and/or temperatures. • Upgrade of experimental set-up, aiming to improvement of the transient system for monitoring the pressure variation during closed vessel explosions, in gaseous mixtures with variable initial temperature. • Determination of normal burning velocity of propane-air (mixtures with variable concentration) at ambient pressure and temperature, using the simplified computation equation based on cubic law. • Dissemination of results

  4. Research Team

  5. Budget

  6. Curriculum vitae Dr. Domnina Razus • Education: University of Bucharest, Faculty of Chemistry (graduated 1971) • Ph.D. in Chemistry, Institute of Physical Chemistry (1987). • Main areas of interest and laboratory experience: • Combustion, flames and explosions of gaseous homogeneous systems: initiation, quenching and propagation of explosions; stationary and non-stationary flames; • Explosive combustion and decomposition of solids; • Chemical kinetics in homogeneous and heterogeneous systems; • Adsorption and catalysis in gas-solid systems. • Scientific cooperations: with the Department of Physical Chemistry from the University of Bucharest; the Department of Physical Chemistry from the Gottingen University (Germany); the Federal Institute for Material Research (BAM) - Berlin (Germany); the Institute for Technical Measurements (PTB) - Braunschweig (Germany). • Selected list of publications: • Domnina Razus, C. Movileanu and D. Oancea, Effect of exhaust gas dilution on burning velocity of propylene-air mixtures, Proc. 19-th Intern. Symp. Comb. Proc., Beskidy, Poland, 2005, pp. 221-229. • V. Munteanu, A. Gutkowski, D. Razus, D. Oancea and J. Jarosinski, Comparison between two methods for direct measurement of quenching distances of ethylene/air mixtures, Proc. 19-th Intern. Symp. Comb. Processes, Beskidy, Poland, 2005, pp. 213-220. • D.Oancea, Domnina Razus and M. Mitu, Critical temperature-pressure data for ignition of stagnant propylene-air mixtures on platinum filaments, Rev. Roumaine Chim., 50, 991-997 (2005). • Domnina Razus, M. Molnarne, C. Movileanu and A. Irimia, Estimation of LOC (Limiting Oxygen Concentration) of Fuel/Air/Inert Mixtures at Elevated Temperatures by means of Adiabatic Flame Temperatures, Chem. Eng. Process., 45, 193-197 (2006). • Domnina Razus, D.Oancea and C. Movileanu, Burning velocity evaluation from pressure evolution during the early stage of closed-vessel explosions, J.Loss Prev. Process Ind., 19, 334-342 (2006). • Domnina Razus, C. Movileanu and D. Oancea, Inhibition of premixed C3H6-air flames by CH2BrCl, Rev.Roumaine Chim, 51, 531-537 (2006). • Domnina Razus, C. Movileanu and D. Oancea, The rate of pressure rise of gaseous propylene-air explosions in spherical and cylindrical enclosures, J. Hazard. Mater., 139, 1-8 (2007). • Domnina Razus, C. Movileanu, V. Brinzea and D. Oancea, Closed vessel combustion of propylene-air mixtures in the presence of exhaust gas, Fuel, 86, 1865-1872 (2007).

  7. Selected list of publications (continuation): DomninaRazus, C. Movileanu and D. Oancea,Inhibition of premixed C3H6-air flames by CH2BrCl, Rev.RoumaineChim, 51, 531-537 (2006). DomninaRazus, C. Movileanuand D. Oancea, The rate of pressure rise of gaseous propylene-air explosions in spherical and cylindrical enclosures, J. Hazard. Mater., 139, 1-8 (2007). DomninaRazus, C. Movileanu, V. Brinzea and D. Oancea, Closed vessel combustion of propylene-air mixtures in the presence of exhaust gas, Fuel, 86, 1865-1872 (2007). DomninaRazus, D.Oancea, V.Brinzea, M.Mitu and V.Munteanu, Experimental and computational study of flame propagation in propane-, n-butane- and liquefied petroleum gas-air mixtures, Proc. 7-th European Comb. Meeting, Chania, Greece, April 2007, paper VI-9 (8 pp). DomninaRazus, M. Mitu, VeneraBrinzea and D. Oancea, Pressure evolution during confined deflagration of n-butane/air mixtures, Rev. Chimie, 58, 1170-1175 (2007). A. Musuc, D. Razus and D. Oancea, Kinetics of exothermal decomposition of 2-nitrophenylhydrazine and 4-nitrophenylhydrazine using DSC non-isothermal data, J.Thermal Anal. Calorim., 90 (3), 807-812 (2007). D. Oancea, O. Staicu, V. Munteanu and DomninaRazus, Catalytic Combustion of the Stoichiometric n-Butane / Air Mixture on Isothermally Heated Platinum Wire, Catal. Lett., 121, 247–254 (2008). N. Musat, V. Munteanu, D. Razus and D. Oancea, Critical properties for ignition and quenching of flammable n-butane-air mixture with variation of the initial pressure, Proc. 3-rd European Combustion Meeting, Vienna, Austria, April 2009. O. Staicu, D. Razus, V. Munteanu, D. Oancea, Heterogeneous catalytic ignition of n-butane/air mixtures on platinum, Central Eur. J. Chem., 7, 478-485 (2009). DomninaRazus, V. Brinzea, M. Mitu, C. Movileanu and D. Oancea, Inerting effect of the combustion products on the confined deflagration of liquefied petroleum gas-air mixtures, J.Loss Prev. Process Ind., 22 (2009) 463–468. DomninaRazus, V. Brinzea, M. Mitu and D. Oancea, Initial pressure and mixture composition influence on LPG-air confined explosions, Rev. Chimie, 60(8), 750-754 (2009) DomninaRazus, V. Brinzea, M. Mitu and D. Oancea, Explosion characteristics of LPG-air mixtures in closed vessels, J.Hazard.Mater, 165(1-3), 1248-1252, 2009. DomninaRazus, V. Brinzea, M. Mitu, C. Movileanu and D. Oancea, Inerting effect of the combustion products on the confined deflagration of liquefied petroleum gas-air mixtures, J.Loss Prev. Process Ind., 22 (2009) 463–468. DomninaRazus, V. Brinzea, M. Mitu and D. Oancea, Initial pressure and mixture composition influence on LPG-air confined explosions, Rev. Chimie, 60(8), 750-754 (2009). DomninaRazus, V.Brinzea, M.Mitu, D.Oancea, Temperature and pressure influence on explosion pressures of closed vessel propane-air deflagrations, J. Hazard. Mater., accepted.

  8. Curriculum vitae Dr. Maria Mitu Education:University of Bucharest, Faculty of Chemistry (graduated 1995); Ph. D. in Chemistry, University of Bucharest, Faculty of Chemistry (2003) Main areas of interest and laboratory experience: Combustion, flames and explosion of gaseous homogeneous systems: initiation of explosions by means of heated bodies; flammability of complex gaseous mixtures; stationary and non-stationary flames. Participant to long-term scientific cooperations between in the Institute of Physical Chemistry and the Institute for Technical Measurements (Physikalisch-Technische Bundesanstalt or PTB) Braunschweig, Germany and the Department of Physical Chemistry from the University of Bucharest. Selected list of publications: Oancea, D, Mitu, M., Pincu, E., Razus, D., – Temperature inhibiting effect on the ignition of a lean propylene-air mixture by an isothermally heated platinum filament, Rev.Roumaine Chim., 49(3-4), 391-397 (2004). Oancea, D., Razus, D., Mitu, M., Critical temperature-pressure data for ignition of stagnant propylene-air mixtures on platinum filaments, Rev.Roumaine Chim., 50(11-12), 991-997 (2005). Brandes, E., Mitu, M., Pawel, D., Temperature Dependence of the Lower Explosion Limits of Pure Components and Mixtures, Proc. 20-th Intern. Colloq. Dynamics of Explosions and Reactive Systems (ICDERS) Montreal, Canada, (2005)(6 pp). Brandes, E., Mitu, M., Frobese, D.H., Sicherheitstechnische Kenngroessen ethanolhaltiger Ottokraftstoffe, Technische Überwachung, nr.9, 23-26 (2006). Mitu, M., Brandes, E., Pawel, D., Lower explosion limits, lower explosion points and flash points of (1-octanol + n-amyl acetate) mixtures, Rev.Chimie, 57(7), 770-772 (2006). Brandes, E., Mitu, M., Pawel, D., The lower Explosion Point - a Good Measure for Explosion Prevention: Experiment and calculation for pure compounds and some mixtures, J. Loss Prev. Proc. Ind., 20, 536-540 (2007). Razus, D., Oancea, D, Brinzea, V., Mitu, M., and Munteanu, V., Experimental and computational study of flame propagation in propane-, n-butane- and liquefied petroleum gas-air mixtures, Proc. 5-th European Combust. Meeting, Chania, Grecia, (2007), paper VI-9 (8 pp). Razus, D., Mitu, M., Brinzea, V., Oancea, D., Pressure Evolution during Confined Deflagration of n-Butane/Air Mixtures, Rev. Chimie, 58, 1170-1175 (2007). Razus, D., Brinzea, V., Mitu, M., Oancea, D., Explosion characteristics of LPG-air mixtures in closed vessels, J.Hazard.Mater, 165, 1248-1252 (2009). Razus, D., Brinzea, V.,Mitu, M., Movileanu, C.,Oancea, D., Inerting Effect of the Combustion Products on the Confined Deflagration of Liquefied Petroleum Gas-Air Mixtures, J.Loss Prev. Process Ind., 22, 463-468 (2009). Razus, D., Brinzea, V., Mitu, M., Oancea, D., Initial pressure and mixture composition influence on LPG-air confined explosions, Rev. Chimie, (Bucuresti), 60(8), 750-754, (2009).

  9. Curriculum vitae Dr. Adina Magdalena Musuc • Education:University of Bucharest, Faculty of Chemistry (graduated 1999); • MSc in Chemistry (Environmental Quality Control) (2001) at the Fac. Chemistry, University of Bucharest; • Ph. D. in Chemistry, University of Bucharest, Faculty of Chemistry (2007). • Main areas of interest and laboratory experience: • flame initiation by means of high-voltage and low-voltage electric sparks; flame propagation in fuel-oxidant gaseous mixtures; quenching of gaseous explosions. • explosive decomposition of energetic compounds in condensed (liquid or solid) phase. Participant to a long-term scientific cooperation between in the Institute of Physical Chemistry and the Department of Physical Chemistry from the University of Bucharest. • Selected list of publications: • D.Oancea, A.M.Musuc, D.Razus, Studiuldescompuneriiexoterme a unornitroderivatifenilhidrazinicifolosindmetodacalorimetrieidiferentiale cu scanare (Study of exothermal decomposition of some phenylhydrazinicnitroderivatives by DSC method), Rev. Chim. (Bucuresti), 54(4), 331-334 (2003) • A.M.Musuc, D.Razus and D.Oancea, Kinetic analysis of isothermal decomposition of 2, 4 – dinitrophenylhydrazine using differential scanning calorimetry, Thermochim. Acta, 448 (2), 130-135 (2006) • A.M.Musuc, C.Popescu, D.Razus and D.Oancea, Non-isothermal kinetic analysis of thermal decomposition of 2,4-dinitrophenylhydrazine, Rev. Roum. Chim., 52(6) 47-57 (2007) • A.M. Musuc, D.Razus and D.Oancea, Kinetics of exothermal decomposition of 2-nitrophenylhydrazine and 4-nitrophenylhydrazine using DSC non-isothermal data, J.ThermalAnal.Calorim. 90 (3), 807-812 (2007), • A.M.Musuc, D.Razus, D.Oancea, A DSC study of the thermal decomposition of 2–methoxyamino–3, 5–dinitro–pyridine, Analele Univ. Bucharest, 16 (1), 25-30 (2007). • C.Movileanu, Adina Musuc, D.Razus, V.Munteanu, D.Oancea, Ignition Parameters of Ethylene-Air-Inert Mixtures using High Voltage and Break Sparks, XXthIntern.Comb. Symp., Pultusk, Poland, sept. 2007. • A.M.Musuc, D.Razus, D.Oancea, Thermal stabilities of new synthesized N-methoxy –polynitroanilines derivatives, accepted, J. Thermal Anal. Calor. 2009, doi:10.1007/1097300901233.

  10. Curriculum Vitae Dr. Codina Movileanu Education:University of Bucharest, Faculty of Chemistry (graduated 2000); MSc in Chemistry (Biosensors for Environmental Monitoring) (2002) at the Fac. Chemistry, University of Bucharest; Ph. D. in Chemistry, University of Bucharest, Faculty of Chemistry (2008). Main areas of interest and laboratory experience: Combustion, flames and explosion of gaseous homogeneous systems: explosion propagation in confined conditions; flammability of hydrocarbon-air mixtures, in the presence of diluent and/or inhibitor gaseous additives. Participant to a long-term scientific cooperation between in the Institute of Physical Chemistry and the Department of Physical Chemistry from the University of Bucharest. The original papers concerning the initiation and propagation of explosions in gaseous premixed fuel-oxidizer systems, published in 2006, were awarded with the prize "I. G. Murgulescu "of the Romanian Academy in 2008. Published papers: D. Razus, M. Molnarne, C. Movileanu and A. Irimia, Estimation of LOC (Limiting Oxygen Concentration) of Fuel/Air/Inert Mixtures at Elevated Temperatures by means of Adiabatic Flame Temperatures, Chem.Eng.Process., 45(3), 193-197 (2006). D. Razus, C. Movileanu, V. Brinzea, D.Oancea, Explosion Pressures of Hydrocarbon-Air Mixtures in Closed Vessels, J. Hazard. Mater., 135(1-3), 58-65 (2006). D. Razus, D.Oancea and C. Movileanu, Burning velocity evaluation from pressure evolution during the early stage of closed-vessel explosions, J.Loss Prev.Process Ind., 19(4), 334-342 (2006). D. Razus, C. Movileanu and D. Oancea, Inhibition of premixed C3H6-air flames by CH2BrCl, Rev.Roumaine Chim, 51(6), 531-537 (2006). D. Razus, C. Movileanu and D. Oancea, The rate of pressure rise of gaseous propylene-air explosions in spherical and cylindrical enclosures, J. Hazard. Mater, 139(1), 1-8 (2007). D. Razus, C. Movileanu, V. Brinzea and D. Oancea, Closed vessel combustion of propylene-air mixtures in the presence of exhaust gas, Fuel, 86, 1865-1872 (2007). D. Razus, V. Brinzea, M. Mitu, C. Movileanu, D. Oancea, Inerting effect of the combustion products on the confined deflagration of liquefied petroleum gas-air mixtures, J.Loss Prev. Process Ind., 22, 463-468 (2009).

  11. Curriculum vitae Dr. Venera Brinzea Education: Faculty of Chemistry, University of Bucharest, (graduated 2003); . MSc in Chemistry (Environmental Quality Control) (2005) at the Faculty of Chemistry, University of Bucharest; Ph. D. in Chemistry, University of Bucharest, Faculty of Chemistry (2008). Main areas of interest and laboratory experience: Combustion, flames and explosion of gaseous homogeneous systems: explosion propagation in confined conditions; flammability of hydrocarbon-air mixtures. Participant to a long-term scientific cooperation between in the Institute of Physical Chemistry and the Department of Physical Chemistry from the University of Bucharest. In 2007-2008, Venera Brinzea was Project Director of a TD Research Grant entitled Dynamics of pressure evolution during explosion propagation of gaseous propane-air mixture in a spherical vessel (with central ignition), awarded by CNCSIS The project supported the completion of her PhD thesis. Selected list of publications: D.Razus, C.Movileanu, V.Brinzea, D.Oancea, Explosion Pressures of Hydrocarbon-Air Mixtures in Closed Vessels, J. Hazard. Mater., 135(1-3), 58-65, 2006. D.Razus, C.Movileanu, V.Brinzea, D.Oancea, Closed vessel combustion of propylene-air mixtures in the presence of exhaust gas, Fuel, 86(12-13), 1865-1872, 2007. D.Razus, M.Mitu, V.Brinzea, D.Oancea, Pressure evolution during confined deflagration of n-butane/air mixtures, Rev. Chimie, 58(12), 1170-1175, 2007. D.Razus, V.Brinzea, M.Mitu, D.Oancea, Explosion characteristics of LPG-air mixtures in closed vessels, J. Hazard. Mater., 165(1-3), 1248-1252, 2009. D.Razus, V.Brinzea, M.Mitu, C.Movileanu, D.Oancea, Inerting effect of the combustion products on the confined deflagration of liquefied petrolum gas-air mixtures, J.Loss Prev. Process Ind., 22, 463-468, 2009. D.Razus, V.Brinzea, M.Mitu, D.Oancea, Initial pressure and mixture composition influence on LPG-air confined explosion, Rev. Chim., 60(8), 750-754, 2009. D.Razus, V.Brinzea, M.Mitu, D.Oancea, Temperature and pressure influence on explosion pressures of closed vessel propane-air deflagrations, J. Hazard. Mater., accepted.

  12. Curriculum vitae Marian Mocanu • Education:University of Bucharest, Faculty of Physics (graduated 2007); • MSc in Physics (Applied Materials Science) (2009) at the Faculty of Physics, Hyperion University, Bucharest; • MSc in Physics (Physics of Polymers; Technology of Materials; Physics-electronics; Metrology) (2009) at the Faculty of Physics, University of Bucharest. • PhD student in the Institute of Physical Chemistry, Bucharest (2009). • Main areas of interest and laboratory experience: Combustion, flames and explosion of gaseous homogeneous systems: explosion propagation in confined conditions; flammability of hydrocarbon-air mixtures, in various conditions. • Other fields of interest: applied electronics, optoelectronics, alternative energy sources, materials science, sensors. • Published papers and communications: • Carmen Cristescu, A.Andronie, S. Iordache, Marian Mocanu, Livia Maria Constantinescu:,,PANi -TiO2 nanostructured for fuel cell and sensor application”, 9th Intern. Balkan Workshop on Applied Physics, Constanţa, ROMANIA, July 2008. • Ioan Stamatin, Adriana Andronie, Adrian Ciocanea, Ovidiu Pacala, Marian Mocanu, Stefan Iordache, Serban Stamatin, Sanda Budea: ,,PEM fuel cells for methanol and hydrogen disulfide oxidation “9th Intern. Balkan Workshop on Applied Physics, Constanţa, ROMANIA, July2008. • Marian Mocanu, ,,Metamaterials, an exciting category of ordered nanomaterials “ NANOELLI09, 2nd NanoCharM European School on Ellipsometry Fundamentals and Applications in Nanoscience and Nanotechnology, Sept. 2009; Belgrad, SERBIA. • Marian Mocanu, ,, Ellipsometry ; Application field ”; NANOELLI09, 2nd NanoCharM European School on Ellipsometry. Fundamentals and Applications in Nanoscience and Nanotechnology. Sept. 2009;Belgrad, SERBIA. • Codina Movileanu, Venera Brinzea, M. Mocanu, Domnina Răzuş, D. Oancea, ,,Characteristic parameters of confined explosions propagating in gaseous mixtures of lower alkanes with air“. 16th Romanian International Conference on Chemistry and Chemical Engineering RICCCE, Sept. 2009. Sinaia, ROMANIA.

  13. Results Publications D. Razus, V. Brinzea, M.Mitu and D. Oancea, Temperature and pressure influence on explosion pressures of closed vessel propane–air deflagrations, accepted, J.Hazard.Mater., 2009. D. Razus, V. Brinzea, M. Mitu and D. Oancea, Burning Velocity of LPG (Liquefied Petroleum Gas)Air Mixtures in the Presence of Exhaust Gas, submitted to Energy & Fuels, 2009. D. Razus, V. Brinzea, M. Mitu and D. Oancea, Experimental and computed burning velocities of propane-air mixtures, submitted to ECM, 2009. V. Brinzea, D. Razus, M. Mitu and D. Oancea, Overall activation energy of propane-air combustion in laminar flames, Analele Univ. Bucuresti, Chimie, 8(1), 35-41 (2009). C. Movileanu, V. Brinzea, M. Mitu, D. Razus and D. Oancea, Explosion pressures of confined deflagrations propagating in gaseous mixtures of lower alkanes with air, Analele Univ. Bucuresti, Chimie, accepted, 2009. Communications V.Brinzea, C. Movileanu, M. Mitu, D. Razus and D. Oancea, Flame propagation during the initial stage of gas-phase explosions in closed vessels, 16-th Intern. Conf. on Chemistry and Chem. Engineering RICCCE, sept. 2009, Sinaia, Romania. C. Movileanu, V. Brinzea, M. Mocanu, D. Razus and D. Oancea, Characteristic parameters of confined explosions propagating in gaseous mixtures of lower alkanes with air, 16-th Intern. Conf. on Chemistry and Chem. Engineering RICCCE, sept. 2009, Sinaia, Romania.

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