[{"language":[{"iso":"eng"}],"date_updated":"2024-02-05T12:38:43Z","doi":"https://doi.org/10.1016/j.jaecs.2023.100191","department":[{"_id":"150"}],"editor":[{"first_name":"Fabian ","full_name":"Fröde, Fabian ","last_name":"Fröde"},{"last_name":"Grenga","first_name":"Temistocle ","full_name":"Grenga, Temistocle "},{"last_name":"Pitsch","full_name":"Pitsch, Heinz ","first_name":"Heinz "},{"first_name":"Sophie","full_name":"Dupont, Sophie","last_name":"Dupont"},{"last_name":"Kneer","full_name":"Kneer, Reinhold","first_name":"Reinhold"},{"id":"67002","last_name":"Tischendorf","full_name":"Tischendorf, Ricardo","first_name":"Ricardo"},{"last_name":"Massopo","id":"98419","first_name":"Orlando","full_name":"Massopo, Orlando"},{"first_name":"Hans-Joachim","full_name":"Schmid, Hans-Joachim","orcid":"000-0001-8590-1921","last_name":"Schmid","id":"464"}],"publication_status":"published","title":"Large eddy simulation of iron oxide formation in a laboratory spray flame","main_file_link":[{"url":"https://www.sciencedirect.com/science/article/pii/S2666352X23000808"}],"citation":{"bibtex":"@book{Fröde_Grenga_Pitsch_Dupont_Kneer_Tischendorf_Massopo_Schmid_2023, title={Large eddy simulation of iron oxide formation in a laboratory spray flame}, DOI={https://doi.org/10.1016/j.jaecs.2023.100191}, journal={Applications in Energy and Combustion Science}, publisher={Elsevier}, year={2023} }","mla":"Fröde, Fabian, et al., editors. “Large Eddy Simulation of Iron Oxide Formation in a Laboratory Spray Flame.” Applications in Energy and Combustion Science, Elsevier, 2023, doi:https://doi.org/10.1016/j.jaecs.2023.100191.","chicago":"Fröde, Fabian , Temistocle Grenga, Heinz Pitsch, Sophie Dupont, Reinhold Kneer, Ricardo Tischendorf, Orlando Massopo, and Hans-Joachim Schmid, eds. Large Eddy Simulation of Iron Oxide Formation in a Laboratory Spray Flame. Applications in Energy and Combustion Science. Elsevier, 2023. https://doi.org/10.1016/j.jaecs.2023.100191.","apa":"Large eddy simulation of iron oxide formation in a laboratory spray flame. (2023). In F. Fröde, T. Grenga, H. Pitsch, S. Dupont, R. Kneer, R. Tischendorf, O. Massopo, & H.-J. Schmid (Eds.), Applications in Energy and Combustion Science. Elsevier. https://doi.org/10.1016/j.jaecs.2023.100191","ama":"Fröde F, Grenga T, Pitsch H, et al., eds. Large Eddy Simulation of Iron Oxide Formation in a Laboratory Spray Flame. Elsevier; 2023. doi:https://doi.org/10.1016/j.jaecs.2023.100191","ieee":"F. Fröde et al., Eds., Large eddy simulation of iron oxide formation in a laboratory spray flame. Elsevier, 2023.","short":"F. Fröde, T. Grenga, H. Pitsch, S. Dupont, R. Kneer, R. Tischendorf, O. Massopo, H.-J. Schmid, eds., Large Eddy Simulation of Iron Oxide Formation in a Laboratory Spray Flame, Elsevier, 2023."},"type":"journal_editor","year":"2023","_id":"51136","publisher":"Elsevier","publication":"Applications in Energy and Combustion Science","keyword":["Flame spray pyrolysis","Iron oxide formation","Large eddy simulation","Method of moments","SpraySyn"],"status":"public","has_accepted_license":"1","date_created":"2024-02-05T12:17:35Z","abstract":[{"text":"Iron oxide nanoparticles are very interesting for many applications in different industrial sectors. A promising\r\nprocess to manufacture these nanoparticles is flame spray pyrolysis (FSP). A lack of understanding of the\r\nindividual sub-processes in FSP makes it challenging to tailor nanoparticle properties. This work provides\r\ninsights into the formation of iron oxide nanoparticles in a turbulent spray flame using Large Eddy Simulations\r\n(LES), which are based on a comprehensive model, including customized submodels. Highlights are the\r\nadaption of a turbulent combustion model and a bivariate hybrid method of moments for modeling nanoparticle\r\ndynamics. The work focuses on the SpraySyn burner, which is a standardized laboratory burner and was\r\noperated with a precursor-solvent mixture of ethanol and iron(III) nitrate nonahydrate. For studying the\r\nrelevance of precursor chemistry, LES using an evaporation-limited precursor chemistry model is compared\r\nwith a model that includes detailed iron chemistry. A further novelty is the inclusion of adsorption in the\r\nsimulation, which defines a third model for comparison. Sufficient validation is achieved for the undoped LES\r\nusing experimental data from the literature. A strong impact of the detailed iron chemistry and adsorption\r\nis found on the precursor consumption and the aggregate and primary particle formation. Comparing the\r\nparticle diameters with experimental measurements from the literature and data generated for this work is\r\nfound unsuitable to asses the precursor chemistry model and revealed an urgent need for future experimental\r\nand numerical research. This work serves as a step forward in realizing a reliable model.","lang":"eng"}],"user_id":"98419"},{"citation":{"ama":"Rittinghaus RD, Schäfer PM, Albrecht P, et al. New Kids in Lactide Polymerization: Highly Active and Robust Iron Guanidine Complexes as Superior Catalysts. ChemSusChem. 2019;12(10):2161-2165. doi:10.1002/cssc.201900481","apa":"Rittinghaus, R. D., Schäfer, P. M., Albrecht, P., Conrads, C., Hoffmann, A., Ksiazkiewicz, A. N., … Herres-Pawlis, S. (2019). New Kids in Lactide Polymerization: Highly Active and Robust Iron Guanidine Complexes as Superior Catalysts. ChemSusChem, 12(10), 2161–2165. https://doi.org/10.1002/cssc.201900481","chicago":"Rittinghaus, Ruth D., Pascal M. Schäfer, Pascal Albrecht, Christian Conrads, Alexander Hoffmann, Agnieszka N. Ksiazkiewicz, Olga Bienemann, Andrij Pich, and Sonja Herres-Pawlis. “New Kids in Lactide Polymerization: Highly Active and Robust Iron Guanidine Complexes as Superior Catalysts.” ChemSusChem 12, no. 10 (2019): 2161–65. https://doi.org/10.1002/cssc.201900481.","bibtex":"@article{Rittinghaus_Schäfer_Albrecht_Conrads_Hoffmann_Ksiazkiewicz_Bienemann_Pich_Herres-Pawlis_2019, title={New Kids in Lactide Polymerization: Highly Active and Robust Iron Guanidine Complexes as Superior Catalysts}, volume={12}, DOI={10.1002/cssc.201900481}, number={10}, journal={ChemSusChem}, author={Rittinghaus, Ruth D. and Schäfer, Pascal M. and Albrecht, Pascal and Conrads, Christian and Hoffmann, Alexander and Ksiazkiewicz, Agnieszka N. and Bienemann, Olga and Pich, Andrij and Herres-Pawlis, Sonja}, year={2019}, pages={2161–2165} }","mla":"Rittinghaus, Ruth D., et al. “New Kids in Lactide Polymerization: Highly Active and Robust Iron Guanidine Complexes as Superior Catalysts.” ChemSusChem, vol. 12, no. 10, 2019, pp. 2161–65, doi:10.1002/cssc.201900481.","short":"R.D. Rittinghaus, P.M. Schäfer, P. Albrecht, C. Conrads, A. Hoffmann, A.N. Ksiazkiewicz, O. Bienemann, A. Pich, S. Herres-Pawlis, ChemSusChem 12 (2019) 2161–2165.","ieee":"R. D. Rittinghaus et al., “New Kids in Lactide Polymerization: Highly Active and Robust Iron Guanidine Complexes as Superior Catalysts,” ChemSusChem, vol. 12, no. 10, pp. 2161–2165, 2019."},"year":"2019","type":"journal_article","page":"2161-2165","language":[{"iso":"eng"}],"_id":"13185","date_updated":"2022-01-06T06:51:30Z","intvolume":" 12","doi":"10.1002/cssc.201900481","issue":"10","author":[{"last_name":"Rittinghaus","full_name":"Rittinghaus, Ruth D.","first_name":"Ruth D."},{"full_name":"Schäfer, Pascal M.","first_name":"Pascal M.","last_name":"Schäfer"},{"last_name":"Albrecht","first_name":"Pascal","full_name":"Albrecht, Pascal"},{"last_name":"Conrads","full_name":"Conrads, Christian","first_name":"Christian"},{"first_name":"Alexander","full_name":"Hoffmann, Alexander","last_name":"Hoffmann"},{"last_name":"Ksiazkiewicz","full_name":"Ksiazkiewicz, Agnieszka N.","first_name":"Agnieszka N."},{"full_name":"Bienemann, Olga","first_name":"Olga","last_name":"Bienemann"},{"full_name":"Pich, Andrij","first_name":"Andrij","last_name":"Pich"},{"last_name":"Herres-Pawlis","first_name":"Sonja","full_name":"Herres-Pawlis, Sonja"}],"publication":"ChemSusChem","keyword":["bioplastics","guanidines","iron","lactide","ring-opening polymerization"],"volume":12,"status":"public","project":[{"_id":"52","name":"Computing Resources Provided by the Paderborn Center for Parallel Computing"}],"date_created":"2019-09-11T10:58:09Z","abstract":[{"lang":"eng","text":"Abstract Polylactide is a biodegradable versatile material based on annually renewable resources and thus CO2-neutral in its lifecycle. Until now, tin(II)octanoate [Sn(Oct2)] was used as catalyst for the industrial ring-opening polymerization of lactide in spite of its cytotoxicity. On the way towards a sustainable catalyst, three iron(II) hybrid guanidine complexes were investigated concerning their molecular structure and applied to the ring-opening polymerization of lactide. The complexes could polymerize unpurified technical-grade rac-lactide as well as recrystallized l-lactide to long-chain polylactide in bulk with monomer/initiator ratios of more than 5000:1 in a controlled manner following the coordination–insertion mechanism. For the first time, a biocompatible complex has surpassed Sn(Oct)2 in its polymerization activity under industrially relevant conditions."}],"title":"New Kids in Lactide Polymerization: Highly Active and Robust Iron Guanidine Complexes as Superior Catalysts","user_id":"40778"}]