Generated by All in One SEO v4.9.3, this is an llms.txt file, used by LLMs to index the site. # Creckmodeling Creckmodeling ## Sitemaps - [XML Sitemap](https://www.creckmodeling.polimi.it/sitemap.xml): Contains all public & indexable URLs for this website. ## Posts - [New paper on evaporation of fuel droplets](https://www.creckmodeling.polimi.it/new-paper-on-evaporation-of-fuel-droplets/) - Congratulations to our PhD Candidate Abd Essamade Saufi! His paper with title "DropletSMOKE++: A comprehensive multiphase CFD framework for the evaporation of multidimensional fuel droplets" has been recently published on International Journal of Heat and Mass Transfer. Saufi, A.E., Frassoldati, A., Faravelli, T., Cuoci, A., DropletSMOKE++: A comprehensive multiphase CFD framework for the evaporation of multidimensional fuel droplets, (2019) International - [Collaboration with University of Stuttgart](https://www.creckmodeling.polimi.it/collaboration-with-university-of-stuttgart/) - A paper on coal with title "Fully-resolved simulations of coal particle combustion using a detailed multi-step approach for heterogeneous kinetics" has been recently published on Fuel as the result of a successfull collaboration between CRECK Modeling Lab, University of Stuttgart, University of Duisburg Essen, Technical University Freiberg, and Darmstadt University of Technology. Tufano, G.L., Stein, O.T., Kronenburg, - [Cover paper on Reaction Chemistry & Engineering](https://www.creckmodeling.polimi.it/cover-paper-on-reaction-chemistry-engineering/) - Congratulations to Matteo Pelucchi! His recent paper on "Detailed kinetics of substituted phenolic species in pyrolysis bio-oils" has been selected as the front cover paper of last issue of Reaction Chemistry & Engineering journal. Pelucchi, M., Cavallotti, C., Cuoci, A., Faravelli, T., Frassoldati, A., Ranzi, E. , Detailed kinetics of substituted phenolic species in pyrolysis bio-oils, (2019) Reaction Chemistry & - [New paper on sooting laminar flames](https://www.creckmodeling.polimi.it/new-paper-on-sooting-laminar-flames/) - Congratulations to our PhD Candidate Warumporn Pejpichestakul! Her paper with title "Buoyancy effect in sooting laminar premixed ethylene flame" has been recently published on Combustion and Flame. Pejpichestakul W., Cuoci, A., Frassoldati, A., Pelucchi, M., Parente, A., Faravelli, T., Buoyancy effect in sooting laminar premixed ethylene flame, (2019) Combustion and Flame, 205, pp. 135-146, DOI: 10.1016/j.combustflame.2019.04.001 Abstract Polycyclic aromatic hydrocarbons (PAHs) are known - [CRECK at 17th ICNC in Aachen](https://www.creckmodeling.polimi.it/creck-at-17th-icnc-in-aachen/) - The CRECK Modeling Lab is proud to have 8 presentations at the Seventeenth International Conference on Numerical Combustion in Aachen (Germany), 6-8 May 2019 165 Towards an automated and generalized approach to the validation of kinetic models, Alessandro Stagni, Matteo Pelucchi, G. Scalia, Alberto Cuoci, B. Pernici, Tiziano Faravelli 189 Large Eddy Simulation of MILD combustion with implicit combustion models, Z. Li, Alberto Cuoci, A. - [New paper on flammable ranges of hydrocarbons](https://www.creckmodeling.polimi.it/new-paper-on-flammable-ranges-of-hydrocarbons/) - Congratulations to our PhD Candidate Andrea Bertolino! His paper with title "Prediction of flammable range for pure fuels and mixtures using detailed kinetics" has been recently published on Combustion and Flame. Bertolino A., Stagni A., Cuoci, A., Faravelli, T., Parente A., Frassoldati A., Prediction of flammable range for pure fuels and mixtures using detailed kinetics, (2019) Combustion and Flame, - [PhD Position available!](https://www.creckmodeling.polimi.it/429-blog-phad-position-cvi/) - The CRECK Modeling Lab is looking for candidates for a Ph.D. position for a research project in collaboration with Brembo S.p.A., a leading company working in the field of disk brake technology. The project is about the numerical modeling of the Chemical Vapor Infiltration (CVI) process for the production of carbon disk brakes for aircraft and racing car markets. The research activities - [New paper on droplet evaporation in buoyancy-driven convection](https://www.creckmodeling.polimi.it/396-blog-paper-cej2019/) - Congratulations to our PhD Candidate Abd Essamade Saufi (aka Sangi)! His paper with title "An experimental and CFD modeling study of suspended droplets evaporation in buoyancy driven convection" has been recently published on Chemical Engineering Journal. A.E.Saufi, R.Calabria, F.Chiariello, A.Frassoldati, A.Cuoci, T.Faravelli, P.Massoli, An experimental and CFD modeling study of suspended droplets evaporation in buoyancy driven convection, (2019) Chemical - [New paper on adaptive reduced chemistry of multidimensional flames](https://www.creckmodeling.polimi.it/422-blog-paper-ene2020/) - The OpenSMOKE++ framework was used in the context of adaptive reduced chemistry for multidimensional laminar flames in a recent publication on Energies with title: "Impact of the partitioning method on multidimensional adaptive-chemistry simulations". The work is a collaboration between the CRECK Modeling Lab and the BURN Group at Universite' Libre de Bruxelles. G. D'Alessio, A. Cuoci, G. Aversano, M. - [New paper on laminar sooting flames](https://www.creckmodeling.polimi.it/397-blog-paper-cf2019-3/) - Congratulations to our PhD Candidate Agnes Livia Bodor! Her paper with title "A post processing technique to predict primary particle size of sooting flames based on a chemical discrete sectional model: Application to diluted coflow flames" has been recently published on Combustion and Flame. A.L. Bodor, B. Franzelli, T. Faravelli, A.Cuoci, A post processing technique to predict primary - [New paper on NOx formation in laminar flames](https://www.creckmodeling.polimi.it/423-blog-paper-ctm2020/) - Congratulations to our PhD Candidate Giampaolo Maio! His paper with title "A virtual chemical mechanism for prediction of NO emissions from flames" has been recently published on Combustion Theory and Modelling. G. Maio, M. Cailler, A. Cuoci, B. Fiorina, A virtual chemical mechanism for prediction of NO emissions from flames, (2020), Combustion Theory and Modelling, In Press, DOI: 10.1080/13647830.2020.1772509 Abstract A - [New paper on isolated fuel droplets](https://www.creckmodeling.polimi.it/421-blog-paper-ctm2020-b/) - OpenSMOKE++ was used for simulating the evaporation and combustion of isolated fuel droplets. The work is a collaboration between the CRECK Modeling Lab, Cornell University, University of San Diego California and NASA Glenn Research Center. The main results have been published on Combustion Theory and Modelling in a paper with title: "The role of composition in the ## Pages - [Homepage](https://www.creckmodeling.polimi.it/) - The CRECK Modeling GroupDetailed kinetic mechanisms and CFD of reacting flows Kinetic MechanismsThe CRECK Lab has expertise in developing detailed kinetic models for various materials, which are useful for designing combustion processes and industrial engines. CFD of flamesComputational fluid dynamics (CFD), coupled with detailed kinetic mechanisms, represents a fundamental tool to study such devices and - [Team](https://www.creckmodeling.polimi.it/people/) - Team Homepage Team Faculty Tiziano Faravelli Full Professor tiziano.faravelli@polimi.it Alessio Frassoldati Full Professor alessio.frassoldati@polimi.it Alberto Cuoci Full Professor alberto.cuoci@polimi.it Marco Mehl Associate Professor marco.mehl@polimi.it Alessandro Stagni Associate Professor alessandro.stagni@polimi.it Matteo Pelucchi Associate Professor matteo.pelucchi@polimi.it Luna Pratali Maffei Assistant Professor luna.pratali@polimi.it Eliseo Ranzi Full Professor (Retired) eliseo.ranzi@polimi.it Postdoctoral Researchers Dang Cam Tu Phan Postdoctoral Researcher dangcam.phan@polimi.it - [WORK WITH US](https://www.creckmodeling.polimi.it/menu-work-with-us/) - Work with us Homepage WORK WITH US We warmly encourage motivated students and researchers from Italy and foreign countries to join our Group through graduate and doctoral programs or postdoctoral collaborations. Several research activities are on-going at CRECK Modeling Group, involving undergraduate and PhD students, coordinated by professional researchers. Master Thesis (Laurea magistrale) A mid-term - [Post-Doctoral Fellowhips](https://www.creckmodeling.polimi.it/menu-work-with-us/menu-work-with-us-post-doctoral-fellowship/) - Post-Doctoral Fellowhips Homepage WORK WITH US Post-Doctoral Fellowhips Post-Doctoral Fellowhips Funding (1-2 years) for experienced researchers are available within the single research lines. Call for MSCA PF Applications The following project proposals are currently open to applications:Development of chemical kinetic mechanisms for circular economy processes: Alessio FrassoldatiMachine Learning-Enhanced CFD for Reactive Flows in Next-Generation Energy - [PhD Thesis](https://www.creckmodeling.polimi.it/menu-work-with-us/menu-work-with-us-master-thesis/) - PhD Thesis Homepage WORK WITH US PhD Thesis Open positions Polymer combustion in hybrid propulsion systems One PhD position is available at CRECK Modeling on Polymer combustion in hybrid propulsion systems. The PhD project focuses on the development of an integrated multiscale modeling framework for hybrid propulsion, coupling condensed-phase polymer behavior (melting, liquid-phase pyrolysis, volatile release), gas-phase - [CONTACT US](https://www.creckmodeling.polimi.it/menu-contact-us/) - Contact us Homepage CONTACT US Contact us! Please feel free to contact us by if you need more information:email: creckmodeling-dcmc@polimi.itphone:+39 02 2399 3398 Where we are Department of Chemistry, Materials, and Chemical EngineeringBuilding 6P.zza Leonardo da Vinci, 3220133 Milano (Italy) How to reach us Politecnico di Milano – Piazza Leonardo da Vinci 32 – 20133 Milano - [Kinetic mechanisms](https://www.creckmodeling.polimi.it/kinetics-mechanisms/) - Kinetic MechanismsRead here to download our detailed kinetic mechanisms Homepage Kinetic mechanisms All kinetic mechanisms for gas, liquid and solid fuels, are available on GitHub. All the mechanisms are freely available in CHEMKIN format (compatible with version 3.6.2 and above) and are self-consistent, i.e. they contain smaller subsets and can be coupled together. Please contact - [Detailed kinetic mechanisms](https://www.creckmodeling.polimi.it/menu-kinetics/menu-kinetics-detailed-mechanisms/) - Detailed kinetic mechanismsDownload here our detailed kinetic mechanisms for hydrocarbon fuels Homepage Kinetics Detailed kinetic mechanisms The kinetic mechanisms provided by CRECK Modeling at Politecnico di Milano are hierarchically organized: moving from syngas up to large mechanisms for jet-fuels and diesel fuels. All the mechanisms are self consistent, i.e., they already include the previous sub-mechanisms. Most of - [PhD & MSc Thesis](https://www.creckmodeling.polimi.it/menu-publications/menu-publications-phd-and-msc-theses/) - PhD & MSc Theses Homepage PUBLICATIONS PhD & MSc Thesis PhD Theses Maffei T., Kinetic modeling of Coal CombustionPh.D. Thesis in Industrial Chemistry and Chemical Engineering, Politecnico di Milano (2013) [Download] Cuoci A., Pollutant formation in turbulent reactive flows: interactions between chemistry and turbulencePh.D. Thesis in Industrial Chemistry and Chemical Engineering, Politecnico di Milano (2008) [Download] MSc Theses - [NH3 - Version 2302, February 2023](https://www.creckmodeling.polimi.it/kinetics-mechanisms/nh3-version-2302-february-2023/) - NH3 mechanism (Version 2302, February 2023) Homepage Kinetic mechanisms NH3 – Version 2302, February 2023 NH3 mechanism (Version 2302, February 2023)Detailed mechanism of NH3 pyrolysis and oxidation. Kinetic mechanism (31 species, 203 reactions)ThermodynamicsTransport propertiesList of species ReferencesStagni, A., Arunthanayothin, S., Dehue, M., Herbinet, O., Battin-Leclerc, F., Bréquigny, P., Mounaïm- Rousselle, C., & Faravelli, T., Low-and intermediate-temperature ammonia/hydrogen oxidation in - [CRECK_2003_SYNGAS](https://www.creckmodeling.polimi.it/menu-kinetics/menu-kinetics-detailed-mechanisms/107-category-kinetic-mechanisms/401-mechanisms-1911-syngas/) - Syngas (H2/CO) mechanism (Version 2003, March 2020) Homepage Kinetics Detailed kinetic mechanisms 107 KINETIC MECHANISM CRECK_2003_SYNGAS Kinetic mechanism (21 species, 62 reactions) Thermodynamics Transport properties List of species How to cite it Ranzi, E., Frassoldati, A., Stagni, A., Pelucchi, M., Cuoci, A., Faravelli, T., Reduced kinetic schemes of complex reaction systems: Fossil and biomass-derived - [CRECK_2003_TOT_HT_ME](https://www.creckmodeling.polimi.it/menu-kinetics/menu-kinetics-detailed-mechanisms/107-category-kinetic-mechanisms/409-mechanisms-1911-tot-ht-me/) - C1-C16 HT+Methyl-Esters mechanism (Version 2003, March 2020) Homepage Kinetics Detailed kinetic mechanisms 107 KINETIC MECHANISM CRECK_2003_TOT_HT_ME Kinetic mechanism (402 species, 16118 reactions)ThermodynamicsTransport propertiesList of species How to cite it Ranzi, E., Frassoldati, A., Stagni, A., Pelucchi, M., Cuoci, A., Faravelli, T., Reduced kinetic schemes of complex reaction systems: Fossil and biomass-derived transportation fuels (2014) International Journal of - [Enhancement of experimental and numerical data](https://www.creckmodeling.polimi.it/menu-work-with-us/menu-work-with-us-master-theses/menu-work-with-us-master-theses-2023-southtampton-ml/) - Enhancement of experimental and numerical data Homepage WORK WITH US Master Thesis Enhancement of experimental and numerical data Enhancement of experimental and numerical data through Machine Learning Context and Objectives Recording and restoring high-speed frames of reactive flows in both DNS simulation and laser diagnostics is highly required to better understand the turbulent combustion, but - [Multi-modal flame structure](https://www.creckmodeling.polimi.it/menu-work-with-us/menu-work-with-us-master-theses/menu-work-with-us-master-theses-2023-southtampton-multi/) - Multi-modal flame structure Homepage WORK WITH US Master Thesis Multi-modal flame structure Multi-Modal Flame Structure under Autoignitive Conditions Context and Objectives In practical systems, combustion does not occur in asymptotic limits of non-premixed flames, premixed flames, or autoignition but rather in multiple modes that interact. In canonical configurations, multi-modal combustion is critical in the stabilization - [Exotic oxidation reactions of unsaturated rings](https://www.creckmodeling.polimi.it/menu-work-with-us/menu-work-with-us-master-theses/menu-work-with-us-master-theses-2023-exotic/) - Exotic oxidation reactions of unsaturated rings Homepage WORK WITH US Master Thesis Exotic oxidation reactions of unsaturated rings Exotic oxidation reactions of unsaturated rings Context and Objectives C5 and C6 membered rings such as cyclopentadiene and benzene seem to share a peculiar oxidation reactivity that involves O2 addition and subsequent ring insertion. The kinetics of this - [Rate rule development for hydrocarbon additions](https://www.creckmodeling.polimi.it/menu-work-with-us/menu-work-with-us-master-theses/menu-work-with-us-master-theses-2023-raterule/) - Rate rule development for hydrocarbon additions Homepage WORK WITH US Master Thesis Rate rule development for hydrocarbon additions From small to large: rate rule development for aromatic hydrocarbons additions Context and Objectives Kinetic modeling of aromatic hydrocarbons decomposition and growth is Key to quantitatively predict pollutants formation and carbon deposition. However, the knowledge of the - [C4 alkenes pyrolysis and oxidation](https://www.creckmodeling.polimi.it/menu-work-with-us/menu-work-with-us-master-theses/menu-work-with-us-master-theses-2023-alkenes/) - C4 alkenes pyrolysis and oxidation Homepage WORK WITH US Master Thesis C4 alkenes pyrolysis and oxidation Kinetic modeling of C4 alkenes pyrolysis and oxidation Context and Objectives Unsaturated C4 compounds like butene and butadiene are important precursors of benzene and therefore of aromatics and soot in fuel-rich flames. The gas phase kinetic modeling of C4 - [Reaction class based mechanisms](https://www.creckmodeling.polimi.it/menu-work-with-us/menu-work-with-us-master-theses/menu-work-with-us-master-theses-2023-classes/) - Reaction class based mechanisms Homepage WORK WITH US Master Thesis Reaction class based mechanisms Reaction class based kinetic mechanism optimization for aromatic hydrocarbo Context and Objectives Kinetic modeling of aromatic hydrocarbons formation, pyrolysis and oxidation is a key step in the prediction of soot formation from fuel combustion or to model the generation of carbonaceous - [Optimisation of jet fuel surrogates](https://www.creckmodeling.polimi.it/menu-work-with-us/menu-work-with-us-master-theses/optimisation-of-jet-fuel-surrogates/) - Optimisation of jet fuel surrogates Homepage WORK WITH US Master Thesis Optimisation of jet fuel surrogates Optimization of jet-fuel surrogates Context and Objectives Aviation is a sector where technologies alternative to fossil fuels are not expected to become available in the near future. For this reason, the efficient exploitation of the currently available resources is - [NOx/e-fuels interactions in combustion engines](https://www.creckmodeling.polimi.it/menu-work-with-us/menu-work-with-us-master-theses/menu-work-with-us-master-theses-2023-ice/) - NOx/e-fuels interactions in combustion engines Homepage WORK WITH US Master Thesis NOx/e-fuels interactions in combustion engines Modelling the e-fuel/NOx interactions in internal combustion engines Context and Objectives The current energy transition is witnessing the rising interest towards e-fuels, i.e. energy carriers able to store the excess energy obtained from renewable sources like wind or sun, - [NOx/e-fuels interactions](https://www.creckmodeling.polimi.it/menu-work-with-us/menu-work-with-us-master-theses/nox-e-fuels-interactions/) - NOx/e-fuels interactions Homepage WORK WITH US Master Thesis NOx/e-fuels interactions Theoretical investigation of relevant NOx/E-Fuels interactions Context and Objectives E-fuels (NH3, DME, alcohols, etc.) are fuels produced by exploiting renewable resources (solar, wind, biomass, etc.) as a primary source of energy, also allowing to store any excess electrical power produced in chemical energy, i.e. in - [NOX formation from hydrogen mixtures](https://www.creckmodeling.polimi.it/menu-work-with-us/menu-work-with-us-master-theses/menu-work-with-us-master-theses-2023-nox/) - NOX formation from hydrogen mixtures Homepage WORK WITH US Master Thesis NOX formation from hydrogen mixtures Nitrogen oxides formation from H2 and H2/CH4 mixtures Context and Objectives The current energy transition is witnessing hydrogen and natural gas as two of the main actors to gradually release the dependence from oil and coal. Although being considered - [Carbonaceous particles for electronic applications](https://www.creckmodeling.polimi.it/menu-work-with-us/menu-work-with-us-master-theses/menu-work-with-us-master-theses-2023-nanoparticles/) - Carbonaceous particles for electronic applications Homepage WORK WITH US Master Thesis Carbonaceous particles for electronic applications Carbonaceous nanoparticles: modeling primary particle formation for electronic device applications Context and Objectives This thesis work involves the development, update and validation of the CRECK kinetic model for the formation of carbonaceous nanoparticles in flames, with applications in the - [Growth of PAHs from pyrolysis](https://www.creckmodeling.polimi.it/menu-work-with-us/menu-work-with-us-master-theses/menu-work-with-us-master-theses-2023-pahs/) - Growth of PAHs from pyrolysis Homepage WORK WITH US Master Thesis Growth of PAHs from pyrolysis Modeling the growth of polycyclic aromatic hydrocarbons (PAHs) from hydrocarbon pyrolysis Context and Objectives This thesis work involves the development, updating and validation of the CRECK kinetic model for the formation of polycyclic aromatic hydrocarbons from high-temperature and high-pressure - [Liquid phase chemical reactions](https://www.creckmodeling.polimi.it/menu-work-with-us/menu-work-with-us-master-theses/menu-work-with-us-master-theses-2023-liquid/) - Liquid phase chemical reactions Homepage WORK WITH US Master Thesis Liquid phase chemical reactions Molecular modelling of liquid phase chemical reactions Context and Objectives A comprehensive fundamental approach for studying physical and chemical transformations in liquid phase is still missing in the scientific literature. Moving from the pioneering work of Prof. Parrinello, Prof. M. Salvalaglio - [E-fuels for the energy transition](https://www.creckmodeling.polimi.it/menu-work-with-us/menu-work-with-us-master-theses/menu-work-with-us-master-theses-2023-efuels/) - E-fuels for the energy transition Homepage WORK WITH US Master Thesis E-fuels for the energy transition E-fuels for the energy transition: kinetic modeling and applications Context and Objectives The climate-neutrality targets set by at an international level impose a rethinking of the main industrial sectors responsible of pollution, such to drive the third-millennium society to - [Thermal degradation of biomasses](https://www.creckmodeling.polimi.it/menu-work-with-us/menu-work-with-us-master-theses/menu-work-with-us-master-theses-2023-biomasses/) - Thermal degradation of biomasses Homepage WORK WITH US Master Thesis Thermal degradation of biomasses Thermal degradation of biomasses: update of a detailed kinetic model from experimental data Context and Objectives Among the renewable energy sources, biomass from agricultural, food or forestry waste can play an important role towards the reduction of greenhouse gas emissions. Unfortunately, - [Chemical recycling of plastics](https://www.creckmodeling.polimi.it/menu-work-with-us/menu-work-with-us-master-theses/menu-work-with-us-master-theses-2023-plastics/) - Chemical recycling of plastics Homepage WORK WITH US Master Thesis Chemical recycling of plastics Chemical recycling of plastics via pyrolysis and gasification Context and Objectives Chemical recycling of plastics through pyrolysis and gasification is one of the new frontiers of sustainability in the chemical and petrochemical industry. In fact, it is possible to produce from - [CVI for reactors for carbon disk brakes](https://www.creckmodeling.polimi.it/menu-work-with-us/menu-work-with-us-master-theses/menu-work-with-us-master-theses-2023-cvi/) - CVI for reactors for carbon disk brakes Homepage WORK WITH US Master Thesis CVI for reactors for carbon disk brakes Numerical modeling of Chemical Vapor Infiltration (CVI) reactors for carbon disk brakes production Context and Objectives Chemical Vapor Infiltration (CVI) is the one of the leading techniques for producing carbon/carbon (C/C) composite materials, such as - [Turquoise hydrogen production](https://www.creckmodeling.polimi.it/menu-work-with-us/menu-work-with-us-master-theses/menu-work-with-us-master-theses-2023-turquoise/) - Turquoise hydrogen production Homepage WORK WITH US Master Thesis Turquoise hydrogen production Kinetic modelling of value-added carbon materials and turquoise hydrogen production from hydrocarbons pyrolysis Context and Objectives Hydrocarbons cracking to produce “turquoise” H2 and value-added carbon materials (C-C composites, carbon nanotubes, graphene, carbon black) is gaining remarkable industrial interest as it enables the production of - [Design of a biomass pyrolytic stove](https://www.creckmodeling.polimi.it/menu-work-with-us/menu-work-with-us-master-theses/design-of-a-biomass-pyrolytic-stove/) - Design of a biomass pyrolytic stove Homepage WORK WITH US Master Thesis Design of a biomass pyrolytic stove Design of a biomass pyrolytic stove for cooking purposes in underdeveloped countries Context and Objectives The project “CHAR:ME: Biochar and biomass-derived products from waste as sustainable and safe domestic fuel” (Polisocial Award 2022) targets the design and - [Kinetic model reduction](https://www.creckmodeling.polimi.it/menu-work-with-us/menu-work-with-us-master-theses/menu-work-with-us-master-theses-2023-qssa/) - Kinetic model reduction Homepage WORK WITH US Master Thesis Kinetic model reduction Kinetic model reduction. Extension of DoctorSMOKE++ tool to CSTRs and laminar flames and introduction of QSSA Context and Objectives The applicability of detailed kinetic models in the large-scale CFD simulations of combustion devices is often limited by their excessive size, in terms of - [Hydrogen combustion kinetics](https://www.creckmodeling.polimi.it/menu-work-with-us/menu-work-with-us-master-theses/menu-work-with-us-master-theses-2023-hydrogen/) - Hydrogen combustion kinetics Homepage WORK WITH US Master Thesis Hydrogen combustion kinetics Development of a state-of-the-art model for hydrogen combustion Context and Objectives Hydrogen is the energy vector of the future and is the object of extreme interest both for domestic and industrial applications (metallurgical and steel industry). However, its integration in the energy network - [Data Science and Chemical Kinetics](https://www.creckmodeling.polimi.it/menu-work-with-us/menu-work-with-us-master-theses/menu-work-with-us-master-theses-2023-data-science/) - Data Science and Chemical Kinetics Homepage WORK WITH US Master Thesis Data Science and Chemical Kinetics Data science and machine learning tools for the development of kinetic models of pyrolysis and combustion Context and Objectives The constantly increasing pool of experimental datasets in combustion experiments is opening new frontiers in the development of detailed kinetic - [CRECK_2003_TPRF_HT_LT_ALC_ETHERS](https://www.creckmodeling.polimi.it/menu-kinetics/menu-kinetics-detailed-mechanisms/107-category-kinetic-mechanisms/416-mechanisms-1911-tprf-ht-lt-alc-ethers/) - Toluene Primary Reference Fuels (TPRF) HT + LT + Alcohols + Ethers mechanism (Version 2003, March 2020) Homepage Kinetics Detailed kinetic mechanisms 107 KINETIC MECHANISM CRECK_2003_TPRF_HT_LT_ALC_ETHERS Kinetic mechanism (356 species, 10171 reactions)ThermodynamicsTransport propertiesList of species How to cite it Pelucchi, M., Cavallotti, Faravelli, T., Klippenstein, S.J., H-Abstraction reactions by OH, HO2, O, O2 and benzyl radical - [CRECK_2003_TPRF_HT_ALC_NOX](https://www.creckmodeling.polimi.it/menu-kinetics/menu-kinetics-detailed-mechanisms/107-category-kinetic-mechanisms/414-mechanisms-1911-tprf-ht-alc-nox/) - Toluene Primary Reference Fuels (TPRF) + Alcohols + NOx mechanism (Version 2003, March 2020) Homepage Kinetics Detailed kinetic mechanisms 107 KINETIC MECHANISM CRECK_2003_TPRF_HT_ALC_NOX Kinetic mechanism (299 species, 8028 reactions)ThermodynamicsTransport propertiesList of species References Pelucchi, M., Cavallotti, Faravelli, T., Klippenstein, S.J., H-Abstraction reactions by OH, HO2, O, O2 and benzyl radical addition to O2 and their implications - [CRECK_2003_TPRF_HT_LT_ALC](https://www.creckmodeling.polimi.it/menu-kinetics/menu-kinetics-detailed-mechanisms/107-category-kinetic-mechanisms/415-mechanisms-1911-tprf-ht-lt-alc/) - Toluene Primary Reference Fuels (TPRF) HT + LT + Alcohols mechanism (Version 2003, March 2020) Homepage Kinetics Detailed kinetic mechanisms 107 KINETIC MECHANISM CRECK_2003_TPRF_HT_LT_ALC Kinetic mechanism (339 species, 9781 reactions)ThermodynamicsTransport propertiesList of species How to cite it Ranzi, E., Frassoldati, A., Stagni, A., Pelucchi, M., Cuoci, A., Faravelli, T., Reduced kinetic schemes of complex reaction systems: - [CRECK_2003_TPRF_HT_ALC](https://www.creckmodeling.polimi.it/menu-kinetics/menu-kinetics-detailed-mechanisms/107-category-kinetic-mechanisms/413-mechanisms-1911-tprf-ht-alc/) - Toluene Primary Reference Fuel (TPRF) + Alcohols mechanism (Version 2003, March 2020) Homepage Kinetics Detailed kinetic mechanisms 107 KINETIC MECHANISM CRECK_2003_TPRF_HT_ALC Kinetic mechanism (254 species, 7568 reactions)ThermodynamicsTransport propertiesList of species How to cite it Pelucchi, M., Cavallotti, Faravelli, T., Klippenstein, S.J., H-Abstraction reactions by OH, HO2, O, O2 and benzyl radical addition to O2 and their - [CRECK_2003_TOT_HT_LT_SOOT_NOX](https://www.creckmodeling.polimi.it/menu-kinetics/menu-kinetics-detailed-mechanisms/107-category-kinetic-mechanisms/408-mechanisms-1911-tot-ht-lt-soot-nox/) - C1-C16 HT+LT+Soot+NOx mechanism (Version 2003, March 2020) Homepage Kinetics Detailed kinetic mechanisms 107 KINETIC MECHANISM CRECK_2003_TOT_HT_LT_SOOT_NOX Kinetic mechanism (621 species, 27829 reactions)ThermodynamicsTransport propertiesList of species How to cite it Pejpichestakul, W., Ranzi, E., Pelucchi, M., Frassoldati, A., Cuoci, A., Parente, A., Faravelli, T., Examination of a soot model in premixed laminar flames at fuel-rich conditions (2019) Proceedings - [CRECK_2003_TOT_HT_LT_ME](https://www.creckmodeling.polimi.it/menu-kinetics/menu-kinetics-detailed-mechanisms/107-category-kinetic-mechanisms/405-mechanisms-1911-tot-ht-lt-me/) - C1-C16 HT + LT + Methyl-Esters mechanism (Version 2003, March 2020) Homepage Kinetics Detailed kinetic mechanisms 107 KINETIC MECHANISM CRECK_2003_TOT_HT_LT_ME Kinetic mechanism (582 species, 21174 reactions)ThermodynamicsTransport propertiesList of species How to cite it Ranzi, E., Frassoldati, A., Stagni, A., Pelucchi, M., Cuoci, A., Faravelli, T., Reduced kinetic schemes of complex reaction systems: Fossil and biomass-derived transportation - [CRECK_2003_TOT_HT_SOOT_NOX](https://www.creckmodeling.polimi.it/menu-kinetics/menu-kinetics-detailed-mechanisms/107-category-kinetic-mechanisms/412-mechanisms-1911-tot-ht-soot-nox/) - C1-C16 HT + Soot + NOx mechanism (Version 2003, March 2020) Homepage Kinetics Detailed kinetic mechanisms 107 KINETIC MECHANISM CRECK_2003_TOT_HT_SOOT_NOX Kinetic mechanism (497 species, 24501 reactions)ThermodynamicsTransport propertiesList of species How to cite it Pejpichestakul, W., Ranzi, E., Pelucchi, M., Frassoldati, A., Cuoci, A., Parente, A., Faravelli, T., Examination of a soot model in premixed laminar flames - [CRECK_2003_TOT_HT_LT_SOOT](https://www.creckmodeling.polimi.it/menu-kinetics/menu-kinetics-detailed-mechanisms/107-category-kinetic-mechanisms/407-mechanisms-1911-tot-ht-lt-soot/) - C1-C16 HT+LT+Soot mechanism (Version 2003, March 2020) Homepage Kinetics Detailed kinetic mechanisms 107 KINETIC MECHANISM CRECK_2003_TOT_HT_LT_SOOT Kinetic mechanism (576 species, 27369 reactions)ThermodynamicsTransport propertiesList of species How to cite it Pejpichestakul, W., Ranzi, E., Pelucchi, M., Frassoldati, A., Cuoci, A., Parente, A., Faravelli, T., Examination of a soot model in premixed laminar flames at fuel-rich conditions (2019) Proceedings - [CRECK_2003_TOT_HT_SOOT](https://www.creckmodeling.polimi.it/menu-kinetics/menu-kinetics-detailed-mechanisms/107-category-kinetic-mechanisms/411-mechanisms-1911-tot-ht-soot/) - C1-C16 HT+Soot mechanism (Version 2003, March 2020) Homepage Kinetics Detailed kinetic mechanisms 107 KINETIC MECHANISM CRECK_2003_TOT_HT_SOOT Kinetic mechanism (452 species, 24041 reactions)ThermodynamicsTransport propertiesList of species How to cite it Pejpichestakul, W., Ranzi, E., Pelucchi, M., Frassoldati, A., Cuoci, A., Parente, A., Faravelli, T., Examination of a soot model in premixed laminar flames at fuel-rich conditions (2019) Proceedings - [CRECK_2003_TOT_HT_LT_NOX](https://www.creckmodeling.polimi.it/menu-kinetics/menu-kinetics-detailed-mechanisms/107-category-kinetic-mechanisms/406-mechanisms-1911-tot-ht-lt-nox/) - C1-C16 HT+LT+NOx mechanism (Version 2003, March 2020) Homepage Kinetics Detailed kinetic mechanisms 107 KINETIC MECHANISM CRECK_2003_TOT_HT_LT_NOX Kinetic mechanism (537 species, 18250 reactions)ThermodynamicsTransport propertiesList of species How to cite it Ranzi, E., Frassoldati, A., Stagni, A., Pelucchi, M., Cuoci, A., Faravelli, T., Reduced kinetic schemes of complex reaction systems: Fossil and biomass-derived transportation fuels (2014) International Journal of - [CRECK_2003_TOT_HT_NOX](https://www.creckmodeling.polimi.it/menu-kinetics/menu-kinetics-detailed-mechanisms/107-category-kinetic-mechanisms/410-mechanisms-1911-tot-ht-nox/) - C1-C16 HT+NOx mechanism (Version 2003, March 2020) Homepage Kinetics Detailed kinetic mechanisms 107 KINETIC MECHANISM CRECK_2003_TOT_HT_NOX Kinetic mechanism (413 species, 14922 reactions)ThermodynamicsTransport propertiesList of species References Ranzi, E., Frassoldati, A., Stagni, A., Pelucchi, M., Cuoci, A., Faravelli, T., Reduced kinetic schemes of complex reaction systems: Fossil and biomass-derived transportation fuels (2014) International Journal of Chemical Kinetics, 46 - [CRECK_2003_TOT_HT_LT](https://www.creckmodeling.polimi.it/menu-kinetics/menu-kinetics-detailed-mechanisms/107-category-kinetic-mechanisms/403-mechanisms-1911-tot-ht-lt/) - C1-C16 HT+LT mechanism (Version 2003, March 2020) Homepage Kinetics Detailed kinetic mechanisms 107 KINETIC MECHANISM CRECK_2003_TOT_HT_LT Kinetic mechanism (492 species, 17790 reactions)ThermodynamicsTransport propertiesList of species How to cite it Ranzi, E., Frassoldati, A., Stagni, A., Pelucchi, M., Cuoci, A., Faravelli, T., Reduced kinetic schemes of complex reaction systems: Fossil and biomass-derived transportation fuels (2014) International Journal of - [CRECK_2003_TOT_HT](https://www.creckmodeling.polimi.it/menu-kinetics/menu-kinetics-detailed-mechanisms/107-category-kinetic-mechanisms/402-mechanisms-1911-tot-ht/) - C1-C16 HT mechanism (Version 2003, March 2020) Homepage Kinetics Detailed kinetic mechanisms 107 KINETIC MECHANISM CRECK_2003_TOT_HT Kinetic mechanism (368 species, 14462 reactions)ThermodynamicsTransport propertiesList of species How to cite it Ranzi, E., Frassoldati, A., Stagni, A., Pelucchi, M., Cuoci, A., Faravelli, T., Reduced kinetic schemes of complex reaction systems: Fossil and biomass-derived transportation fuels (2014) International Journal of - [CRECK_2003_C1_C3_HT_NOX](https://www.creckmodeling.polimi.it/menu-kinetics/menu-kinetics-detailed-mechanisms/107-category-kinetic-mechanisms/400-mechanisms-1911-c1-c3-ht-nox/) - C1-C3 + NOx mechanism (Version 2003, March 2020) Homepage Kinetics Detailed kinetic mechanisms 107 KINETIC MECHANISM CRECK_2003_C1_C3_HT_NOX Kinetic mechanism (159 species, 2459 reactions)ThermodynamicsTransport propertiesList of species NOx sub-mechanism Song, Y., Marrodán, L., Vin, N., Herbinet, O., Assaf, E., Fittschen, C., Stagni, A., Faravelli, T. & Battin-Leclerc, F., The sensitizing effects of NO2 and NO on methane low - [CRECK_2003_C1_C3_HT](https://www.creckmodeling.polimi.it/menu-kinetics/menu-kinetics-detailed-mechanisms/107-category-kinetic-mechanisms/399-mechanisms-1911-c1-c3-ht/) - C1-C3 mechanism (Version 2003, March 2020) Homepage Kinetics Detailed kinetic mechanisms 107 KINETIC MECHANISM CRECK_2003_C1_C3_HT Kinetic mechanism (114 species, 1999 reactions)ThermodynamicsTransport propertiesList of species How to cite it Ranzi, E., Frassoldati, A., Stagni, A., Pelucchi, M., Cuoci, A., Faravelli, T., Reduced kinetic schemes of complex reaction systems: Fossil and biomass-derived transportation fuels (2014) International Journal of Chemical - [BLOG](https://www.creckmodeling.polimi.it/blog/) - [PUBLICATIONS](https://www.creckmodeling.polimi.it/menu-publications/) - Publications Publications on international journals Click here to see the list of our papers published on International Journals. Conferences Click here to see the list of ourpapers presented at International Conferences on combustion and detailed kinetics. Presentations & Posters Click here to download presentations and posters from our group. Invited Talks Click here to download - [Invited talks](https://www.creckmodeling.polimi.it/menu-publications/menu-publications-invited-talks/) - Invited talks 2015 Faravelli T., Modeling new fuels 1st General Meeting & Smart Energy Carriers for Power, Industry and Engines Workshop, Thessaloniki (Greece) 26-28 August 2015 Cuoci A. and Maestri M., CatalyticFOAM: first principles multiscalemodeling of heterogeneous catalytic reactors in OpenFOAM Workshop “HPC enabling of OpenFOAM for CFD applications”, PRACE, Partnership for advanced computing in Europe, CINECA, - [Papers](https://www.creckmodeling.polimi.it/menu-publications/menu-publications-papers-international-journals/) - Publications on international journals 2021 Dogu, O., Pelucchi, M., Van de Vijver, R., Van Steenberge, P.H.M., D’hooge, D.R., Cuoci, A., Mehl, M., Frassoldati, A., Faravelli, T., Van Geem, K.M. The chemistry of chemical recycling of solid plastic waste via pyrolysis and gasification: State-of-the-art, challenges, and future directions (2021) Progress in Energy and Combustion Science, 84, - [Master Thesis](https://www.creckmodeling.polimi.it/menu-work-with-us/menu-work-with-us-master-theses/) - Master Thesis Several Master Theses are available at the CRECK Modeling Lab. Please click on the links below for further information. 1. Data science and machine learning tools for the development of kinetic models of pyrolysis and combustion 2. Development of a state-of-the-art model for hydrogen combustion 3. Kinetic model reduction: extension of DoctorSMOKE++ to - [Presentations & Posters](https://www.creckmodeling.polimi.it/menu-publications/menu-publications-presentations-posters/) - Presentations & Posters Detailed kinetic mechanisms Saggese C. et al., A Kinetic modeling study of mixtures of methyl-esters with alcohol fuels XXXIV Meeting of the Italian Section of the Combustion Institute. Rome, 2011 [Download Poster] CFD modeling of turbulent flames Shabanian R. et al., Experimental and numerical analysis of syngas Mild combustion XXXIV Meeting of the Italian Section - [Conferences](https://www.creckmodeling.polimi.it/menu-publications/menu-publications-conferences/) - Conferences 2017 A.L. Bodor, B. Franzelli, A. Stagni, A. Cuoci Impact of Reduction of Chemistry on Soot Formation and Evolution in Laminar Flames 2017 SIAM International Conference on Numerical Combustion, Orlando (FL) (2017) Z. Li, A. Cuoci, A. Sadiki, A. Parente Large Eddy Simulation of non conventional combustion regimes 2017 SIAM International Conference on - [Previous kinetic mechanisms](https://www.creckmodeling.polimi.it/menu-kinetics/menu-kinetics-previous-mechanisms-2/) - Previous kinetic mechanisms Download here our detailed kinetic mechanisms for hydrocarbon fuels The kinetic schemes provided by CRECK Modeling at Politecnico di Milano are hierarchically organized: moving from the “Hydrogen mechanism” up to the “Complete mechanism: low and high temperature”. All the schemes are self consistent, i.e., they already include the previous submechanisms. All the - [Reduced kinetic mechanisms](https://www.creckmodeling.polimi.it/menu-kinetics/menu-kinetics-reduced-mechanisms/) - Reduced kinetic mechanisms Download here our detailed kinetic mechanisms for hydrocarbon fuels The kinetic schemes provided by CRECK Modeling at Politecnico di Milano are hierarchically organized: moving from the “Hydrogen mechanism” up to the “Complete mechanism: low and high temperature”. All the schemes are self consistent, i.e., they already include the previous submechanisms. All the - [Privacy Policy](https://www.creckmodeling.polimi.it/privacy-policy/) - Privacy Policy Who we are Our website address is: https://www.creckmodeling.polimi.it/. Comments When visitors leave comments on the site we collect the data shown in the comments form, and also the visitor’s IP address and browser user agent string to help spam detection. 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The OpenSMOKE++ Suite is a collection of standard solvers for modeling the typical systems of interest - [Master Thesis](https://www.creckmodeling.polimi.it/master-thesis/) - [107 KINETIC MECHANISM](https://www.creckmodeling.polimi.it/menu-kinetics/menu-kinetics-detailed-mechanisms/107-category-kinetic-mechanisms/) ## My Templates - [Elementor Header #51](https://www.creckmodeling.polimi.it/?elementor_library=elementor-header-51) - Content area - [Elementor Loop Item #3335](https://www.creckmodeling.polimi.it/?elementor_library=elementor-loop-item-3335) - [Default Kit](https://www.creckmodeling.polimi.it/?elementor_library=default-kit) - [Template singolo TEAM](https://www.creckmodeling.polimi.it/?elementor_library=elementor-single-post-422) - [Team](https://www.creckmodeling.polimi.it/?elementor_library=elementor-loop-item) - [Elementor Loop Item #3154](https://www.creckmodeling.polimi.it/?elementor_library=elementor-loop-item-3) - [Elementor Loop Alunni](https://www.creckmodeling.polimi.it/?elementor_library=elementor-loop-item-3237) - [Elementor Loop Item #3223](https://www.creckmodeling.polimi.it/?elementor_library=elementor-loop-item-4) - [Elementor Footer #91](https://www.creckmodeling.polimi.it/?elementor_library=elementor-footer-91) - Content area - [banner-kinetiks](https://www.creckmodeling.polimi.it/?elementor_library=banner-kinetiks) - Detailed kinetic mechanisms Download here our detailed kinetic mechanisms for hydrocarbon fuels - [post home](https://www.creckmodeling.polimi.it/?elementor_library=post-home) - [Template singolo Pubblicazioni](https://www.creckmodeling.polimi.it/?elementor_library=elementor-single-post-918) - [Template Post](https://www.creckmodeling.polimi.it/?elementor_library=elementor-single-post-250) - Find out more about the JETSCREEN Project, which received funding from the European Union’s Horizon 2020 research and innovation programme for developing a screening and optimization platform for alternative fuels Find out more about the IMPROOF Project, which received funding from the European Union’s Horizon 2020 research and innovation programme for improving the energy efficiency of steam cracking furnaces, while reducing emissions - [Blocchi blu](https://www.creckmodeling.polimi.it/?elementor_library=blocchi-blu) - Name: CRECK_2003_SYNGAS Species: 21Reactions: 62Notes: H2/CO mixtures Name: CRECK_2003_C1_C3_HT Species: 114Reactions: 1999Notes: C1-C3 high-temperature (HT) Name: CRECK_2003_C1_C3_HT_NOX Species: 159Reactions: 2459Notes: C1-C3 high-temperature (HT) and NOx Name: CRECK_2003_TOT_HT Species: 368Reactions: 14462Notes: C1-C16 high temperature (HT) Name: CRECK_2003_TOT_HT_LTSpecies: 492Reactions: 17790Notes: C1-C16 high and low temperature (HT+LT) Name: CRECK_2003_TOT_HT_NOX Species: 413Reactions: 14922Notes: C1-C16 high temperature (HT) Name: CRECK_2003_TOT_HT_LT_NOX - [Themplate Esempio 4](https://www.creckmodeling.polimi.it/?elementor_library=themplate-esempio-4) - Syngas (H2/CO) mechanism (Version 2003, March 2020) Kinetic mechanism (21 species, 62 reactions)Thermodynamics Transport properties List of species How to cite it Ranzi, E., Frassoldati, A., Stagni, A., Pelucchi, M., Cuoci, A., Faravelli, T., Reduced kinetic schemes of complex reaction systems: Fossil and biomass-derived transportation fuels (2014) International Journal of Chemical Kinetics, 46 (9), pp. 512-542, DOI: 10.1002/kin.20867 Ranzi, - [Themeplate Esempio 3](https://www.creckmodeling.polimi.it/?elementor_library=themeplate-esempio-3) - Data Science and Chemical Kinetics Data science and machine learning tools for the development of kinetic models of pyrolysis and combustion Context and Objectives The constantly increasing pool of experimental datasets in combustion experiments is opening new frontiers in the development of detailed kinetic models: first, their use for the evaluation of kinetic models must - [Elementor Loop Item #899](https://www.creckmodeling.polimi.it/?elementor_library=elementor-loop-item-2) - [Themplate Esempio 2](https://www.creckmodeling.polimi.it/?elementor_library=themplate-esempio-2) - Special mechanisms Download here our detailed kinetic mechanisms for non-hydrocarbon fuels The kinetic schemes provided by CRECK Modeling at Politecnico di Milano are hierarchically organized: moving from the “Hydrogen mechanism” up to the “Complete mechanism: low and high temperature”. All the schemes are self consistent, i.e., they already include the previous submechanisms. All the mechanisms - [Themplate Esempio](https://www.creckmodeling.polimi.it/?elementor_library=themplate-esempio) - Detailed kinetic mechanisms Download here our detailed kinetic mechanisms for hydrocarbon fuels The kinetic mechanisms provided by CRECK Modeling at Politecnico di Milano are hierarchically organized: moving from syngas up to large mechanisms for jet-fuels and diesel fuels. All the mechanisms are self consistent, i.e., they already include the previous sub-mechanisms. 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