Combustion model advances of industrial applications of heating and diesel fuels

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Combustion model advances of industrial applications of heating and diesel fuels 2 nd General Meeting SmartCat and workshop on SECs in Industry. 14 th -16 th Nov., Lisbon (Portugal)

1. Ambient air quality in Europe 2. Repsol compromise with air quality 3. Heating fuel experience 4. Automotive fuel activity 5. Conclusions

1. Ambient air quality in Europe 2. Repsol compromise with air quality 3. Heating fuel experience 4. Automotive fuel activity 5. Conclusions

Air Quality in Europe Air pollution is an environmental and a social problem Concentrations of PM2.5 and NO2 in 213 (EEA Report for European Air Quality 215) equomadrid.org Percentage of the urban population in the EU-28 exposed to air pollutant concentrations above certain EU and WHO reference concentrations (211 213). EEA.

Emission sources and key factors Case: NO x Percentage contribution of each Main Source Category (CORINAIR' 9, 1996) in NO x emissions Fuel type Equipment and operational mode 96% Emission control

1. Ambient air quality in Europe 2. Repsol compromise with air quality 3. Heating fuel experience 4. Automotive fuel activity 5. Conclusions

Repsol compromise with sustainability and air quality Repsol is committed to the fitht against global emissions and climate change (COP21 supported;,9 millions tonnes CO2 reduced in 214-215) Several initiatives/projects to improve the use of energy for heating and transport: Microalgae Cultivation and processing of microalgae for fuel production E storage Buiild on and enhance the energy storage technology Other examples can be found at: https://www.repsol.com/es_en/corporacion/conocer-repsol/canal-tecnologia/proyectos-innovadores/default.aspx

1. Ambient air quality in Europe 2. Repsol compromise with air quality 3. Heating fuel experience 4. Automotive fuel activity 5. Conclusions

Domestic heating vectors Heating fuel Heating and cooling fuel mix in the residential sector, 212 Biomass 17% District heating 9% Electricity 11% Solar energy 1% Ambient heat 2% Coal 4% Fuel oil 13% Natural gas 43% UK fossil fuel replacement for heating 23 % 25 % E. Efficiency 1-12 5-5 Heat pumps (E),4-1 3-8 Micro CHP,3-3 3-3 Biomass,3-3 3-3 Solar PV? Eyre et al. (Energy Policy, 215 85 (C) 641-653 Communication from the EU Commision. Strategy for Heating and Cooling. Brussels 16.2.216. Class Fuel heaters (EN 267:2) Gas heaters (EN 483:2) NOx (mg/kwh) CO (mg/kwh) NOx (mg/kwh) 1 25 11 26 2 185 11 2 3 12 6 15 4 -- -- 1 5 -- -- 7

Heating fuels for new technologies Blue flame burner Emission tests in new technology boiler Different fuel formulations

Temperature of 95% distilled, ºC Empirical modeling NOx emissions NO x emissions mg/kwh 7 12 Out of experimental design Nitrogen content, mg/kg

Computational Fluid Dynamics (CFD) Collaboration with IKERLAN Atomization Air / fuel mixture Turbulence Vaporization of fuel Heat transfer and temperature Combustion products (CO and CO 2 ) Pollutants: NO x, SO x and soot

Droplet diameter (microns) Soot formation (mg/drop x 1 5 ) Droplet Combustion Facility (DCF) Collaboration with LIFTEC Droplet evaporation and char formation with different heating fuels Length of combustion tube (mm) Flat fame burner Sequential photography of one drop of fuel Solids sampling

Droplet Evaporation at High Temperature Device under development Fuel flow:,1-1,5 ml/min Droplet diameter: 3,9-4,1 mm (5-12 droplet/min) Temperature: 25-6ºC N 2 blanketing: 1% máx O 2 (out of flamabilty range for heating fuel)

1. Ambient air quality in Europe 2. Repsol compromise with air quality 3. Heating fuel experience 4. Automotive fuel activity 5. Conclusions

Fuel behavior in diesel engine Plan for development CFD simulation including realistic combustion/emissions chemistry - Surrogate component selection - Selection of engine configuration to be modeled - Acquisition or estimation of thermochemical and physical properties - Elemental chemical kinetic (library available or development) - Development of kinetic modeling - Cross checking of modeling with experimental resulte Fuel type Component (% m/m) F1 F2 F3 F4 F5 F6 F7 n-paraffines i-paraffines N- hexadecane Heptametilnonane 36,3 15,37 32,43 13,83 32,43 13,83 39,9 17,2 15,37 36,3 13,83 32,43 5,11 21,38 Dodecane i- Dodecane Naftenes Decaline 38,89 35, 35, 43,7 38,89 35 15 Aromatics 1-metilnaftalene 9,71 8,74 8,74 9,71 8,74 13,51 1,2,4 - trimetilbencene 1 Methyl Esther Metilpalmitate 1 1 Density (15 C), kg/m3 85,2 851 853,7 835,9 855 858 815 Tempeture 1% destilled, C 185,5 196,5 191,3 193,3 199,5 191 22,8 Petrosim Tempeture 5% destilled, C 247,1 237,2 237,6 238 235,1 23,5 268,9 simulation Tempeture 95% destilled, C 35,3 283,8 287,3 288,9 274,1 272,1 286,5 Final Boiling Point, C 39 29,3 29,5 291,5 288,4 288,1 29,5 Viscosity (4 C), cst 2,8 1,94 1,89 1,87 1,89 1,74 2,37 Cetane index (ASTM D4737) 39,89 38,55 37,5 44,15 36,46 34,18 61,34 - Ignition delay - Injection pattern - T/P profiles - Diffusion flame - Soot formation - NO x concentration

1. Ambient air quality in Europe 2. Repsol compromise with air quality 3. Heating fuel experience 4. Automotive fuel activity 5. Conclusions

Conclusions - Air quality is an environmental and social concern and improvement in combustion processes is an opportunity. - Fuel type is a key factor on combustion and a proper understanding of mechanism is needed. - Experimental efforts for evaluating the effect of fuel on emissions can be complemented by empirical or rigurous modeling. - Collaboration of experimental expertise of industry and academic knowlegde and capacity for combustion modeling is fundamental for finding opportunities of fuel improvement