AIMS publications

[1]          Somoza-Tornos A., Gonzalez-Garay A., Pozo C., Graells M., Espuña A., Guillen-Gosalbez G (2020). Realizing the Potential High Benefits of Circular Economy in the Chemical Industry: Ethylene Monomer Recovery via Polyethylene Pyrolysis. ACS Sustainable Chemistry & Engineering, 8(9), 3561-3572. DOI: 10.1021/acssuschemeng.9b04835

[2]          Audino F., Conte L.O., Schenone A.V., Pérez-Moya M., Graells M., Alfano O.M. (2019) A kinetic study for the Fenton and photo-Fenton paracetamol degradation in an annular photoreactor. Environmental Science and Pollution Research, 26, 5, p. 4312-4323, DOI: 10.1007/s11356-018-3098-4.

[3]          Audino F., Santamaria J.M.T., Del Valle Mendoza L.J., Graells M., Pérez-Moya M. (2019) Removal of paracetamol using effective advanced oxidation processes. International Journal of Environmental Research and Public Health, 16, 3, 505, DOI: 10.3390/ijerph16030505. Open Access.

[4]          Audino F., Campanyà G., Pérez-Moya M., Espuña A., Graells M. (2019) Systematic optimization approach for the efficient management of the photo-Fenton treatment process. Science of the Total Environment, 646, p. 902-913, DOI: 10.1016/j.scitotenv.2018.07.057.

[5]          Somoza-Tornos A., Rives-Jiménez M., Espuña A., Graells M. (2019) A Circular Economy Approach to the Design of a Water Network Targeting the Use of Regenerated Water. Computer Aided Chemical Engineering, 47, p. 119-124, DOI: 10.1016/B978-0-12-818597-1.50020-5.

[6]          Morakabatchiankar S., Mele F.D., Graells M., Espuña A. (2019) Optimal design and planning multi resource-based energy integration in process industries. Computer Aided Chemical Engineering, 46, p. 1075-1080, DOI: 10.1016/B978-0-12-818634-3.50180-6.

[7]          Somoza-Tornos A., Giraldo-Carvajal V., Espuña A., Graells M. (2019) Targeting material exchanges in industrial symbiosis networks. Computer Aided Chemical Engineering, 46, p. 1525-1530, DOI: 10.1016/B978-0-12-818634-3.50255-1.

[8]          Medina-González S., Shokry A., Silvente J., Lupera G., Espuña A. (2019) Optimal management of bio-based energy supply chains under parametric uncertainty through a data-driven decision-support framework. Computers and Industrial Engineering, 139 DOI: 10.1016/j.cie.2018.12.008, Open Access.

[9]          Shokry A., Vicente P., Escudero G., Pérez-Moya M., Graells M., Espuña A. (2018) Data-driven soft-sensors for online monitoring of batch processes with different initial conditions. Computers and Chemical Engineering, 118, p. 159-179, DOI: 10.1016/j.compchemeng.2018.07.014.

[10]       Medina-González S.A., Rojas-Torres M.G., Ponce-Ortega J.M., Espuña A., Guillén-Gosálbez G. (2018) Use of Nonlinear Membership Functions and the Water Stress Index for the Environmentally Conscious Management of Urban Water Systems: Application to the City of Morelia. ACS Sustainable Chemistry and Engineering, 6, 6, p. 7752-7760, DOI: 10.1021/acssuschemeng.8b00660.

[11]       Medina-González S., Espuña A., Puigjaner L. (2018) An efficient uncertainty representation for the design of sustainable energy generation systems. Chemical Engineering Research and Design, 131, p. 144-159, DOI: 10.1016/j.cherd.2017.11.044.

[12]       Somoza-Tornos A., Graells M., Espuña A. (2018) Evaluating the effect of separation and reaction systems in industrial symbiosis. Computer Aided Chemical Engineering, 43, p. 749-754, DOI: 10.1016/B978-0-444-64235-6.50132-7.

[13]       Ardakani M.H., Shokry A., Escudero G., Graells M., Espuña A. (2018) Unsupervised Automatic Updating of Classification Models of Fault Diagnosis for Novelty Detection. Computer Aided Chemical Engineering, 43, p. 1123-1128, DOI: 10.1016/B978-0-444-64235-6.50196-0.

[14]       Morakabatchiankar S., Hjaila K., Mele F.D., Graells M., Espuña A. (2018) Economic and environmental benefits of waste-based energy closed-loop integration in process industries under uncertainty. Computer Aided Chemical Engineering, 43, p. 501-506, DOI: 10.1016/B978-0-444-64235-6.50089-9.

[15]       Ardakani M.H., Shokry A., Escudero G., Graells M., Espuña A. (2018) Online Quantification of the Concept Drift Using Incremental Learned Classifier and Non-automatic Clustering. Computer Aided Chemical Engineering, 43, p. 1069-1074, DOI: 10.1016/B978-0-444-64235-6.50187-X.

[16]       Audino F., Varga M., Pérez-Moya M., Graells M., Espuña A., Csukás B. (2018) Experiments and Direct Computer Mapping Based Model for Photo-Fenton Process. Computer Aided Chemical Engineering, 43, p. 223-228, DOI: 10.1016/B978-0-444-64235-6.50040-1.

[17]       Shokry A., Espuña A. (2018) The Ordinary Kriging in Multivariate Dynamic Modelling and Multistep-Ahead Prediction. Computer Aided Chemical Engineering, 43, p. 265-270, DOI: 10.1016/B978-0-444-64235-6.50047-4.

[18]       Lupera G., Shokry A., Kopanos G.M., Espuña A. (2018) Mixed-integer multiparametric Metamodeling: A machine learning tool applied to reactive scheduling. Computer Aided Chemical Engineering, 43, p. 163-168, DOI: 10.1016/B978-0-444-64235-6.50030-9.

[19]       Lupera G., Shokry A., Medina-González S., Vyhmeister E., Espuña A. (2018) Ordinary Kriging: A machine learning tool applied to mixed-integer multiparametric approach. Computer Aided Chemical Engineering, 43, p. 531-536, DOI: 10.1016/B978-0-444-64235-6.50094-2.

[20]       Muñoz E., Capón-Garcia E., Puigjaner L. (2018) Unsupervised life-cycle assessment using automated process inventory based on process recipes. ACS sustainable chemistry & engineering, 6, 9, p. 11246-11254, DOI: 10.1021/acssuschemeng.7b04154.

[44]      Audino, F., Pérez-Moya, M., Graells, M., Espuña, A., Csukas, B., Varga, M. (2020). A novel modeling approach for a generalizable photo-fenton-based degradation of organic compounds. Environmental Science and Pollution Research, 27(18), 22913-22934. DOI:10.1007/s11356-020-08616-4

[45]      Pacheco-López, A., Somoza-Tornos, A., Muñoz, E., Capón-García, E., Graells, M., Espuña, A. (2020). Synthesis and assessment of waste-to-resource routes for circular economy, DOI:10.1016/B978-0-12-823377-1.50323-2

[46]      Shokry, A., Baraldi, P., Zio, E., Espuña, A. (2020). Dynamic surrogate modeling for multistep-ahead prediction of multivariate nonlinear chemical processes. Industrial and Engineering Chemistry Research, 59(35), 15634-15655. DOI: 10.1021/acs.iecr.0c00729

[48]      Somoza-Tornos, A., Chen, Q., Graells, M., Espuña, A., & Grossmann, I. E. (2020). Modeling framework for joint product and process synthesis with material recovery opportunities DOI:10.1016/B978-0-12-823377-1.50138-5

[49]      Somoza-Tornos, A., Pozo, C., Graells, M., Espuña, A., & Puigjaner, L. (2021). Process screening framework for the synthesis of process networks from a circular economy perspective. Resources, Conservation and Recycling, 164, DOI: 10.1016/j.resconrec.2020.105147

[50]      Venier, C. M., Conte, L. O., Pérez-Moya, M., Graells, M., Nigro, N. M., & Alfano, O. M. (2021). A CFD study of an annular pilot plant reactor for paracetamol photo-fenton degradation. Chemical Engineering Journal, 410 DOI: 10.1016/j.cej.2020.128246

[51]      Yu, X., Somoza-Tornos, A., Graells, M., & Pérez-Moya, M. (2020). An experimental approach to the optimization of the dosage of hydrogen peroxide for fenton and photo-fenton processes. Science of the Total Environment, 743 DOI: 10.1016/j.scitotenv.2020.140402

[55]      Vanessa Ribeiro Urbano, Milena Guedes Maniero, José Roberto Guimarães, Luis J. del Valle, Montserrat Pérez-Moya (2021). Sulfaquinoxaline Oxidation and Toxicity Reduction by Photo-Fenton Process Int. J. Environ. Res. Public Health, 18(3), 1005; DOI: 10.3390/ijerph18031005

[57]      Xiangwei, Y., Graells, M., Miralles-Cuevas, S., Cabrera-Reina, A., & Pérez-Moya, M. (2021). An improved hybrid strategy for online dosage of hydrogen peroxide in photo-fenton processes. Journal of Environmental Chemical Engineering, 9(3) DOI: 10.1016/j.jece.2021.105235

[61]     A. Pacheco-López, F. Lechtenberg, A. Somoza-Tornos, M. Graells, A. Espuña (2021). Economic and Environmental Assessment of Plastic Waste Pyrolysis Products and Biofuels as Substitutes for Fossil-Based Fuels. Frontiers in Energy Research. DOI: 10.3389/fenrg.2021.676233

[64]     K. Nasr Esfahani, M. Damous Zandi, J.A. Travieso-Rodriguez, M. Graells, M. Pérez-Moya (2021). Manufacturing and Application of 3D Printed Photo Fenton Reactors for Wastewater Treatment. Environmental Research and Public Health. 18(9), 4885. DOI: 10.3390/ijerph18094885

[21]       Audino, F.; Toro, J.M.; Graells, M.; Egner, S.; Hirth, T.; Pérez-Moya, M. Removal of paracetamol by photo-induced advanced oxidation without additives. SPEA 2018: 10th European Meeting on Solar Chemistry & Photocatalysis: Environmental Applications: Almeria, Spain: June 4-8, 2018: proceedings book.

[22]       Audino, F.; Varga, M.; Csukas, B.; Pérez-Moya, M.; Graells, M.; Espuña, A. Toward a generalized, simplified, first principles model for photo-Fenton process-based degradation of harmful contaminants (CECs). SPEA 2018: 10th European Meeting on Solar Chemistry & Photocatalysis: Environmental Applications: Almeria, Spain: June 4-8, 2018: proceedings book.

[23]       Medina, S.; Graells, M.; You, F.; Espuña, A. Aplicación del enfoque de negociación dinámica basada en escenarios para el diseño de manejo de redes de suministro de agua. V Simposio CEA de Modelado, Simulación y Optimización Valladolid, Palacio de Congresos Conde Ansúrez 25 y 26 de enero de 2018.

[24]       Yu, X.; Audino, F.; Toro, J.M.; Graells, M.; Pérez-Moya, M. Performance of caffeine removal by using different AOPs technologies. CHISA 2018: 23rd International Congress of Chemical and Process Engineering: Prague, Czech Republic: August 25-29, 2018: proceedings book. https://secure.confis.cz/chisa2018/UserPages/cd/Abstracts/Abstract1189.html

[25]       Yu X., Somoza-Tornos A., Graells, M., Pérez-Moya, M. A practical time discretization methodology for adjusting the dosage profile in photo-Fenton processes. 16th International Conference on Environmental Science and Technology. CEST2019, 4-7 September 2019, Rhodes, Greece. [CEST2019_00637] https://cest2019.gnest.org/sites/default/files/presentation_file_list/cest2019_00637_posterf_paper.pdf

[26]       K. Nasr Esfahani, M.D. Zandi, J.A. Travieso-Rodriguez, M. Graells, M. Pérez-Moya. 3D printed lab-scale raceway ponds reactors applied to photo-Fenton processes. 16th International Conference on Environmental Science and Technology. CEST2019, 4-7 September 2019, Rhodes, Greece. [CEST2019_00639] https://cest2019.gnest.org/sites/default/files/presentation_file_list/cest2019_00639_posterf_paper.pdf

[27]       Shokry, A; Espuña, A.: Utilización de Meta-Modelos para el Control y la Optimización de Sistemas Dinámicos. XXXVI Jornadas Nacionales de Ingeniería Química, Zaragoza, 4-6 de septiembre de 2019, Conferencia Invitada. http://jniq2019.i3a.es/index.php/metamodelos/

[28]       Y. Xiangwei, A. Somoza-Tornos, M. Graells, M. Pérez-Moya. Systematic Dosage Protocol of H2O2 for Photo-Fenton Processes: Application to Paracetamol Degradation. 6th European Conference on Environmental Applications of Advanced Oxidation Processes (EAAOP-6), 26-30 June 2019, Portorož, Slovenia. http://eaaop6.ki.si/conference-site/

[39]      A. Pacheco-Lopez, A. Somoza-Tornos, M. Graells, A. Espuña. Systematic Generation and Evaluation of Waste-to-Resource Alternatives. 14th Mediterranean Congress of Chemical Engineering, 16-20 November 2020, Barcelona, Spain. DOI: 10.48158/MeCCE-14.DG.06.05

[40]      S. Morakabatchiankar, F.D. Mele, M. Graells, A. Espuña. Optimal Design and planning supply chains of multi renewable resource-based energy/material applied in process industries. 14th Mediterranean Congress of Chemical Engineering, 16-20 November 2020, Barcelona, Spain. DOI: 10.48158/MeCCE-14.DG.06.06

[41]      K. Nasr Esfahani, M. Graells, M. Pérez-Moya. Integrated Mathematical Modelling of Advanced Oxidation Processes and Conventional Bio-Processes for Wastewater Treatment. 14th Mediterranean Congress of Chemical Engineering, 16-20 November 2020, Barcelona, Spain. DOI: 10.48158/MeCCE-14.DG.06.07

[42]      F. Lechtenberg, A. Somoza-Tornos, A. Espuña, M. Graells. A MILP Model for Enhancing Wastewater Networks by Introducing Reclaimed Wastewater Usage. 14th Mediterranean Congress of Chemical Engineering, 16-20 November 2020, Barcelona, Spain. DOI: 10.48158/MeCCE-14.DG.06.11

[43]      Y. Xiangwei, M. Graells, S. Miralles-Cuevas, A. Cabrera-Reina, M. Pérez-Moya. Improving photo-Fenton process by hydrogen peroxide dosage strategies. Dissolved oxygen performance indicator. 14th Mediterranean Congress of Chemical Engineering, 16-20 November 2020, Barcelona, Spain. DOI: 10.48158/MeCCE-14.DG.09.15

[52]      F. Lechtenberg, J. Farreres, A. Somoza-Tornosa, A. Pacheco-Lópeza, A. Espuña, M. Graells (2021) Towards Automated Information Retrieval of Process Data and Knowledge from Academic Databases. 31st European Symposium on Computer Aided Chemical Engineering. 6-9 June 2021. Istanbul, Turkey. DOI: not available yet

[53]      A. Pacheco-López, A. Somoza-Tornos, A. Espuña, M. Graells (2021) Systematic generation and targeting of chemical recycling pathways: A mixed plastic waste upcycling case study. 31st European Symposium on Computer Aided Chemical Engineering. 6-9 June 2021. Istanbul, Turkey. DOI: not available yet

[54]      Kourosh Nasr Esfahani, Montserrat Pérez-Moya, Moisès Graells (2021) A Hybrid Model Coupling Advanced Oxidation Processes (AOP) and Conventional Bio-processes for the Removal of Recalcitrant Contaminants in Wastewaters. 31st European Symposium on Computer Aided Chemical Engineering. 6-9 June 2021. Istanbul, Turkey. DOI: not available yet

[29]       Ardakani, M. H. (Dir. Antonio Espuña, Moisès Graells) "Data driven methods for updating fault detection and diagnosis system in chemical processes". Tesi doctoral, UPC, Departament d'Enginyeria Química, 2018-07-23. http://hdl.handle.net/2117/121198.

[30]       Medina González, S. A. (Dir. Antonio Espuña) "A contribution to support decision making in energy/water supply chain optimisation". Tesi doctoral, UPC, Departament d'Enginyeria Química, 2019-02-22. http://hdl.handle.net/2117/131406.

[31]       Dombayci, C. (Dir. Antonio Espuña) "Conceptual modelling for integrated decision-making in process systems". Tesi doctoral, UPC, Departament d'Enginyeria Química, 2019-05-27. http://hdl.handle.net/2117/134624.

[32]       Audino, F. (Dir. Montserrat Pérez-Moya, Moisès Graells) “Advanced oxidation process models for optimisation and decision-making support in water management”. Tesi doctoral, UPC, Departament d'Enginyeria Química, 2019-06-20. http://hdl.handle.net/2117/134624.

[38]    Somoza-Tornos A.  (Dir. Moisès Graells, Antonio Espuña) “Decision Support Strategies for the Efficient Implementation of Circular Economy Principles in Process Systems”. Tesi Doctoral, UPC, Departament d'Enginyeria Química, 2020-03-26. https://futur.upc.edu/28876360.

[56]    Toro-Santamaria, J.M (Dir. Thomas Hirth, Montserrat Pérez-Moya, Gunter Tovar) “UV-Advanced Oxidation Process without additives in liquid phase – Process characterization and validation”. PhD Thesis, Stuttgart University, 2020-10-13. http://dx.doi.org/10.18419/opus-11285

[33]       Espuña A., Graells M., Guillén-Gosálbez G., Puigjaner L. (2019) Editorial. Computers and Chemical Engineering, 122, p. 1, DOI: 10.1016/j.compchemeng.2019.03.015.

[34]       Uribe-Padilla J., Graells M., Salgado-Valle J., López Serrano J. (2019) A viscosity-mediated model for relating gloss and film thickness of coatings. Progress in Organic Coatings, Article 105195, DOI: 10.1016/j.porgcoat.2019.06.041. Article in Press.

[35]       Espuña A. (2018) Preface: European Symposium on Computer-Aided Process Engineering. Industrial and Engineering Chemistry Research, 57, 30, p. 9737-9739, DOI: 10.1021/acs.iecr.8b03116.

[36]       Luna A.C., Meng L., Diaz N.L., Graells M., Vasquez J.C., Guerrero J.M. (2018) Online Energy Management Systems for Microgrids: Experimental Validation and Assessment Framework. IEEE Transactions on Power Electronics, 33, 3, 7915727, p. 2201-2215, DOI: 10.1109/TPEL.2017.2700083.

[37]       Requies J.M., Agirre I., Barrio V.L., Graells M. (2018) Evolution of project-based learning in small groups in environmental engineering courses. Journal of Technology and Science Education, 8, 1, p. 45-62, DOI: 10.3926/jotse.318. Open Access.

[47]     Sin G and Espuña A (2020) Editorial: Applications of Monte Carlo Method in Chemical, Biochemical and Environmental Engineering. Front. Energy Res. 8:68. DOI: 10.3389/fenrg.2020.00068