Suchergebnisse

6 figures, 3 tables.-- Supplementary material under CC-BY license https://creativecommons.org/licenses/by/4.0/ ; Fuel reformulation through the use of oxygenated compounds e.g. dimethyl carbonate (DMC) is a potential option both to reduce the harmful soot emissions and to overcome the dependence on fossil fuels since many of them are bio-derived fuels. DMC presents a relative high oxygen content as compared with other additives and suitable characteristics to be used in combustion systems. The different fundamental aspects of the DMC combustion process including its oxidation behavior its tendency to produce soot and the role of the NO presence in the reaction system were studied. Experiments were conducted under well controlled conditions using specifically designed flow reactor systems. Results demonstrated the low tendency of DMC to form soot compared to other oxygenates and its capacity to contribute to NO reduction under specific fuel-rich conditions. Modeling calculations successfully reproduce reasonably well the experimental trends observed and emphasized the sensitivity of the results to the thermodynamic data of DMC and DMC derived species. ; Authors acknowledge the Aragón Government and the European Social Fund, GPT group, and MINECO and FEDER (Project CTQ2015-65226-R) for financial support. Dr. M. Abián acknowledges the MINECO and Instituto de Carboquímica (ICB-CSIC) for the post-doctoral grant awarded (FPDI-2013-16172).

The development of biomass pyrolysis oil refineries is a very promising path for the production of biofuels and bioproducts from lignocellulosic materials. Given that bio-oil is a complex mixture of organic compounds, the production of valuable bioproducts may imply the use of different separation processes, such as distillation, selective condensation, crystallization based on melting points, liquid-liquid extraction or adsorption, and/or upgrading treatments, such as catalytic cracking or hydrodeoxygenation. In this context, the main objectives of this work are (1) to propose a simple but representative composition of the bio-oil, which can be used as a bio-oil surrogate, and (2) to determine selected thermodynamic, physical, and molecular properties of the organic compounds included in the bio-oil surrogate using different estimation methods and calculation procedures. These properties are critical temperature, critical pressure, critical volume, normal boiling point, enthalpy of vaporization, vapor pressure curves, normal melting point, enthalpy of fusion, heat capacities of gas, liquid, and solid, gas and liquid standard enthalpy of formation, gas standard Gibbs free energy of formation, Hansen solubility parameters, molecular volume, and molecular diameter. This group of properties has been selected for their possible application in the simulation or design of thermochemical, separation, and upgrading processes. Additionally, the suitability of the estimated thermodynamic properties and the proposed surrogate composition has been assessed by comparing experimental and literature data with the apparent enthalpy of formation of the bio-oil predicted from the weight-averaged contributions of the compounds as well as the heat required for the pyrolysis process at 500 °C. ; The authors acknowledge the funding from the Aragón government (reference T22_20R), co-funded by FEDER 2014–2020 'Construyendo Europa desde Aragón'. The authors acknowledge MICINN (RTI2018-098856-B-100) and Centro Universitario de la Defensa (CUD, UZCUD2020-TEC-01) for financial support. Hans-Heinrich Carstensen thanks Aragon Institute of Engineering Research (I3A) for the use of its high performance computing (HPC) cluster HERMES.