{"id":2608,"date":"2020-08-26T08:58:57","date_gmt":"2020-08-26T06:58:57","guid":{"rendered":"https:\/\/afrodita.i3a.es\/?page_id=2608"},"modified":"2023-10-03T10:11:00","modified_gmt":"2023-10-03T08:11:00","slug":"publications","status":"publish","type":"page","link":"https:\/\/creg.i3a.es\/es\/publications\/","title":{"rendered":"Publicaciones"},"content":{"rendered":"
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      289 registros<\/span> «<\/a> ‹<\/a> 1 de 15 ›<\/a> »<\/a> <\/div><\/div>

      2027<\/h3>

      Art\u00edculos de revista<\/h3>

      Zambrano-Juca, Daniel; Men\u00e9ndez, Miguel<\/p>

      Proposal of a metric for catalyst comparison: Application to catalysts for methanol synthesis from CO2<\/a> Art\u00edculo de revista<\/span> <\/p>

      En: <\/span>Chemical Engineering Science, <\/span>vol. 338, <\/span>pp. 124691, <\/span>2027<\/span>, ISSN: 0009-2509<\/span>.<\/p>

      Resumen<\/a><\/span> | Enlaces<\/a><\/span> | BibTeX<\/a><\/span><\/p>

      @article{ZAMBRANOJUCA2027124691,
      \r\ntitle = {Proposal of a metric for catalyst comparison: Application to catalysts for methanol synthesis from CO2},
      \r\nauthor = {Daniel Zambrano-Juca and Miguel Men\u00e9ndez},
      \r\nurl = {https:\/\/www.sciencedirect.com\/science\/article\/pii\/S0009250926014065},
      \r\ndoi = {https:\/\/doi.org\/10.1016\/j.ces.2026.124691},
      \r\nissn = {0009-2509},
      \r\nyear  = {2027},
      \r\ndate = {2027-01-01},
      \r\njournal = {Chemical Engineering Science},
      \r\nvolume = {338},
      \r\npages = {124691},
      \r\nabstract = {Comparing the performance of different catalysts becomes challenging when the experimental data have been obtained under varying experimental conditions (temperature, pressure, spatial velocity\u2026). A system where a huge amount of experimental data has been published, but under widely different experimental conditions, is the catalytic hydrogenation of CO2 to methanol, which would be a key process for CO2 upgrading and for the production of sustainable fuels. This work introduces a new metric based on the calculation of the relative activity (a*) and relative selectivity (s*) with respect to a reference catalyst, using kinetics equations from literature and a plug flow reactor model. For this reaction an industrially relevant catalyst (Cu\/ZnO\/Al2O3) has been chosen as reference catalyst, a wide review of literature data was performed and, after applying a filter for thermodynamic feasibility, the values of relative activity (a*) and selectivity (s*) for each catalyst were calculated. Eleven groups of catalyst have been analyzed and compared using this methodology, and significative trends were found in this meta-analysis. Systems based on Cu (including promotors as Zr, Y, W or Al) show significative improvements in a* and\/or s* over the reference catalyst. Ga-promoted catalysts, particularly the Cu-Ga systems, show more relative selectivity (s*> 3) than most of the studied catalyst. Systems based on In2O3, in particular with Pd doping (with s*>2 and good activity), ZnZrOx as catalyst and as support, and innovative solids such as CdZrOx (with a* > 70 and s* > 1.5), emerge as the most attractive platforms to achieve high intrinsic selectivity. The proposed methodology could be extended to other reaction systems of interest, providing a useful approach for screening the most suitable catalyst for a given reaction.},
      \r\nkeywords = {},
      \r\npubstate = {published},
      \r\ntppubtype = {article}
      \r\n}
      \r\n<\/pre><\/div>
      Cerrar<\/a><\/p><\/div>
      Comparing the performance of different catalysts becomes challenging when the experimental data have been obtained under varying experimental conditions (temperature, pressure, spatial velocity\u2026). A system where a huge amount of experimental data has been published, but under widely different experimental conditions, is the catalytic hydrogenation of CO2 to methanol, which would be a key process for CO2 upgrading and for the production of sustainable fuels. This work introduces a new metric based on the calculation of the relative activity (a*) and relative selectivity (s*) with respect to a reference catalyst, using kinetics equations from literature and a plug flow reactor model. For this reaction an industrially relevant catalyst (Cu\/ZnO\/Al2O3) has been chosen as reference catalyst, a wide review of literature data was performed and, after applying a filter for thermodynamic feasibility, the values of relative activity (a*) and selectivity (s*) for each catalyst were calculated. Eleven groups of catalyst have been analyzed and compared using this methodology, and significative trends were found in this meta-analysis. Systems based on Cu (including promotors as Zr, Y, W or Al) show significative improvements in a* and\/or s* over the reference catalyst. Ga-promoted catalysts, particularly the Cu-Ga systems, show more relative selectivity (s*> 3) than most of the studied catalyst. Systems based on In2O3, in particular with Pd doping (with s*>2 and good activity), ZnZrOx as catalyst and as support, and innovative solids such as CdZrOx (with a* > 70 and s* > 1.5), emerge as the most attractive platforms to achieve high intrinsic selectivity. The proposed methodology could be extended to other reaction systems of interest, providing a useful approach for screening the most suitable catalyst for a given reaction.<\/div>
      Cerrar<\/a><\/p><\/div>