Montserrat Pérez-moya - Academia.edu (original) (raw)

Papers by Montserrat Pérez-moya

Environmental Science and Pollution Research, May 11, 2014

An experimental study of the homogeneous Fenton and photo-Fenton degradation of 4-amidophenol (Pa... more An experimental study of the homogeneous Fenton and photo-Fenton degradation of 4-amidophenol (Paracetamol, PCT) is presented. For all the operation conditions evaluated, PCT degradation is efficiently attained by both Fenton and photo-Fenton processes. Also, photonic efficiencies of PCT degradation and mineralization are determined under different experimental conditions, characterizing the influence of hydrogen peroxide (H 2 O 2) and Fe(II) on both contaminant degradation and sample mineralization. The maximum photonic degradation efficiencies for 5 and 10 mg L-1 Fe(II) were 3.9 (H 2 O 2 = 189 mg L-1) and 5 (H 2 O 2 = 378 mg L-1), respectively. For higher concentrations of oxidant, H 2 O 2 acts as a "scavenger" radical, competing in pollutant degradation and reducing the reaction rate. Moreover, in order to quantify the consumption of the oxidizing agent, the Specific Consumption of the Hydrogen Peroxide was also evaluated. For all operating conditions of both hydrogen peroxide and Fe(II) concentration, the consumption values obtained for Fenton process were always higher than the corresponding values observed for photo-Fenton. This implies a less efficient use of the oxidizing agent for dark conditions.

Journal of Hazardous Materials, Oct 30, 2008

This work studied the photocatalysed oxidation of the antibiotic oxolinic acid (OA) in an annular... more This work studied the photocatalysed oxidation of the antibiotic oxolinic acid (OA) in an annular reactor operated with immobilized TiO(2) on sintered glass cylinders (SGC). Experiments were carried out in 1l solution of OA (18 mg l(-1)) at pH 9 with oxygen bubbling. Irradiation was performed with black light (36 W). The reaction was monitored by COD, TOC and average oxidation state (AOS) calculations. The antibacterial activity of intermediates was followed using the inhibition halo technique on Escherichia coli cultures. The initial antibiotic concentration decreases in one order of magnitude after 60 min irradiation, and was completely eliminated at 100 min reaction. The TOC was reduced in 54% and the AOS reach values around +3 indicating the formation of low molecular weight carboxylic acids. The oxidation reaction fit well with the Langmuir-Hinshelwood kinetic model indicating the dependence of reaction rate with initial adsorption step. The antibacterial activity of the solution decreases with antibiotic removal, demonstrating that intermediates do not present antibiotic activity.

International Journal of Environmental Research and Public Health, May 4, 2021

This article is an open access article distributed under the terms and conditions of the Creative... more This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY

Chemical Engineering Journal, Apr 1, 2021

This work studies in detail the photo-Fenton degradation process of Paracetamol (PCT) on an annul... more This work studies in detail the photo-Fenton degradation process of Paracetamol (PCT) on an annular pilotplant reactor using Computational Fluid Dynamics (CFD). A cylindrical lamp emission model was originally implemented over the structure of the OpenFOAM(R) platform and a multicomponent reaction mixture model was used to compute the temporal evolution of the different species at each point of the reactor. Once the proposed model was experimentally validated, the influence of different operating conditions (i.e. different strategies for hydrogen peroxide (H 2 O 2) dosage, use of low recirculation flow rates (Qr), and a completely uncovered lamp setup) was studied. The results of the analysis showed that a double addition of H 2 O 2 (50% before the tank and 50% before the reactor) significantly reduces the reaction times of the process. Moreover, the overall PCT degradation rate does not change when Qr is increased, thus allowing the system to be operated with a recirculation flow three times lower than that the one used in the experiments. Thereby, the developed model allows identifying the reaction conditions that maximize the overall PCT conversion, making efficient use of H 2 O 2 (main chemical reagent) and reducing the electrical energy consumption (recirculation flow) by operating the system under conditions present in large-scale photochemical reactors.

Fenton and photo-Fenton are Advanced Oxidation processes driven by the supply of hydrogen peroxid... more Fenton and photo-Fenton are Advanced Oxidation processes driven by the supply of hydrogen peroxide (H 2 O 2). However, excessive hydrogen peroxide supply results in unproductive reactions and causes the process performance to decay. Thus, the goal of this work is to systematically compare different H 2 O 2 dosage strategies using a new approach based on monitoring dissolved oxygen as a performance indicator, which is assumed to directly reveal the inefficient consumption of H 2 O 2. The systematic approach proposed is a preliminary test to stablish a general methodology to define an optimal dosage scheme.

Computer-aided chemical engineering, 2018

Abstract The photo-enhanced Fenton process has proved to be an effective alternative to conventio... more Abstract The photo-enhanced Fenton process has proved to be an effective alternative to conventional treatment processes that have shown to be unable to remove Contaminants of Emerging Concern (CECs). A great experimental effort and several modelling approaches have been proposed. Despite of this, the major challenge still remains the identification of an approximately unified, causally established coupling between the general photo-Fenton system and the decontamination of the arbitrarily chosen organic compounds. In the present work, Direct Computer Mapping based Programmable Structures was applied for modelling and simulation based analysis of the experimental results of photo-enhanced decomposition of the paracetamol (PCT). A design of experiments was performed in a 15-L pilot plant, consisting of an annular photo-reactor. A simplified first principles model (FPM), based on the well-known Fenton and photo-Fenton kinetics, and on our suggested idea of consecutive breakage steps, depending on the number of carbon atoms in the molecule to be decomposed, was proposed. This model allowed the fast, approximate combination of the simplified photo-Fenton core with the simplified decomposition reactions of the actual target.

Computer Aided Chemical Engineering

Abstract The photo-enhanced Fenton process has proved to be an effective alternative to conventio... more Abstract The photo-enhanced Fenton process has proved to be an effective alternative to conventional treatment processes that have shown to be unable to remove Contaminants of Emerging Concern (CECs). A great experimental effort and several modelling approaches have been proposed. Despite of this, the major challenge still remains the identification of an approximately unified, causally established coupling between the general photo-Fenton system and the decontamination of the arbitrarily chosen organic compounds. In the present work, Direct Computer Mapping based Programmable Structures was applied for modelling and simulation based analysis of the experimental results of photo-enhanced decomposition of the paracetamol (PCT). A design of experiments was performed in a 15-L pilot plant, consisting of an annular photo-reactor. A simplified first principles model (FPM), based on the well-known Fenton and photo-Fenton kinetics, and on our suggested idea of consecutive breakage steps, depending on the number of carbon atoms in the molecule to be decomposed, was proposed. This model allowed the fast, approximate combination of the simplified photo-Fenton core with the simplified decomposition reactions of the actual target.

Computer Aided Chemical Engineering

Science of The Total Environment

International Journal of Environmental Research and Public Health, 2021

This work addresses the dosage of H2O2 in photo-Fenton processes and the monitoring of Dissolved ... more This work addresses the dosage of H2O2 in photo-Fenton processes and the monitoring of Dissolved oxygen (DO) that can be used to drive the dosage of H2O2. The objective of this work is to show that a smarter monitoring of a process variable such as DO (for which on-line measurement can be inexpensively obtained) enables the proposal and implementation of efficient dosage strategies. The work explores the application of a recent proposed strategy consisting of: (i) initial H2O2 addition, (ii) continuous H2O2 addition until a DO set up is reached, and (iii) automatic H2O2 addition by an on-off control system based on DO slope monitoring, and applies it to the treatment of different individual contaminants and their mixtures (paracetamol and sulfamethazine). The assays performed following this dosage strategy showed improved values of TOC removed per H2O2 consumed. For the case of sulfamethazine, this improvement increased up to 25–35% with respect to the efficiency obtained without do...

The AIMS project proposal addresses the challenges associated to the "efficient use of resou... more The AIMS project proposal addresses the challenges associated to the "efficient use of resources and raw materials" and to the use of "clean, efficient and safe energy systems" in the Process Industries from a holistic, non-hierarchical and cross-sectoral point of view. Departing from the limitations imposed by the conservation and transfer laws, AIMS will rely on the Process Systems Engineering (PSE) approach to propose efficient ways to intensify the interactions between different processing systems and supply chains, identifying and promoting Industrial Symbiosis opportunities, and fostering collaborative decision-making and circular economy solutions. The proposal is aimed at overcoming the limitations of the current ad-hoc Industrial Symbiosis approaches, based on identifying opportunities through expert analysis. These strategies, even after a systematic local search, usually lead to sub-optimal solutions. On the contrary, the solutions to be proposed through AIMS will be based on the systematic collection and processing of data, the use of common models ensuring interoperability between information and knowledge management tools, and the transparent assessment of solutions. Thus, AIMS will develop models, methods and tools able to identify efficient resource processing and transformation networks under three working paradigms: Unified approach: development of holistic tools to harmonize concerns and constraints (economic, environmental and social) from the different stakeholders involved; Multi-scale view: integration of operational, tactical and strategic decision-making levels within a global, unified and consistent information model; Multi-sectoral applicability: Adaptability to open systems, independent from specific industrial sectors or scenarios, and from the geographic or macroeconomic context. The models to be developed shall be able to consider two basic aspects of the problem, often over-simplified or even ignored: the existence of multiple, conflicting, non-additive objectives, and the uncertainty associated to the lack of reliable information, not always revealed by the competing counterparts. In order to formulate and solve the resulting models, multi-objective optimization approaches will be complemented with decomposition strategies, methods based on game theories, and metaheuristics. Extensive use of model reduction techniques and sensitivity analysis methods is expected to discard noise, seize relevant factors for decision making and finally improve the efficiency of the required optimization strategies. The systematic methods and tools to be developed will be validated on a diverse set of cases, both from academia and industry, at large and reduced scale. Case studies will involve process industries and networks (chemical, petrochemical, oil & gas, agro-food, etc.), for which simultaneous management of shared resources will be addressed taking into account economic, environmental and social concerns, in accordance with the EU Responsible Research & Innovation policy. Applications in renewable energy, water treatment, etc. and circular economy initiatives led by organizations from the third sector will be also addressed, demonstrating AIMS potential to identify alternatives promoting the efficient use of resources, and further validating the generality of the approach and the specific procedures developed

31st European Symposium on Computer Aided Process Engineering, 2021

Abstract The combined use of Advanced Oxidation Processes (AOP) and conventional bio-processes ha... more Abstract The combined use of Advanced Oxidation Processes (AOP) and conventional bio-processes has been suggested for the efficient treatment of wastewaters with a significant presence of recalcitrant contaminants. However, no models have been proposed to describe such combined processes, which prevents further design and operational optimization. Thus, by combining models previously reported this work contributes a first model integrating AOPs and bio-processes. Mass balances were reformulated by consistently linking the variables used in each model. The model was implemented using Simulink® and it was tested and analyzed using several process configurations (photo-Fenton processes followed by a biological treatment as well as a biological treatment followed by a photo-Fenton process). The outlet concentrations of total organic carbon (TOC) and substrate (S) were monitored for various wastewater compositions, which allowed analyzing the performance of the integrated system and suggesting suitable treatment arrangements. Different treatment options were discussed and the capability of the integrated bio/AOP and AOP/bio models was shown to allow a systematic approach to design, operation, and control of integrated wastewater treatment plants in the future. Further research will be oriented to improve the understanding of the potential key parameters as well as their inclusion in the model.

International Journal of Environmental Research and Public Health, 2021

Sulfaquinoxaline (SQX) has been detected in environmental water samples, where its side effects a... more Sulfaquinoxaline (SQX) has been detected in environmental water samples, where its side effects are still unknown. To the best of our knowledge, its oxidation by Fenton and photo-Fenton processes has not been previously reported. In this study, SQX oxidation, mineralization, and toxicity (Escherichia coli and Staphylococcus aureus bacteria) were evaluated at two different setups: laboratory bench (2 L) and pilot plant (15 L). The experimental design was used to assess the influence of the presence or absence of radiation source, as well as different H2O2 concentrations (94.1 to 261.9 mg L−1). The experimental conditions of both setups were: SQX = 25 mg L−1, Fe(II) = 10 mg L−1, pH 2.8 ± 0.1. Fenton and photo-Fenton were suitable for SQX oxidation and experiments resulted in higher SQX mineralization than reported in the literature. For both setups, the best process was the photo-Fenton (178.0 mg L−1 H2O2), for which over 90% of SQX was removed, over 50% mineralization, and bacterial ...

14th Mediterranean Congress of Chemical Engineering (MeCCE14) Abstracts Publication, 2020

Fenton and photo-Fenton are Advanced Oxidation processes driven by the supply of hydrogen peroxid... more Fenton and photo-Fenton are Advanced Oxidation processes driven by the supply of hydrogen peroxide (H 2 O 2). However, excessive hydrogen peroxide supply results in unproductive reactions and causes the process performance to decay. Thus, the goal of this work is to systematically compare different H 2 O 2 dosage strategies using a new approach based on monitoring dissolved oxygen as a performance indicator, which is assumed to directly reveal the inefficient consumption of H 2 O 2. The systematic approach proposed is a preliminary test to stablish a general methodology to define an optimal dosage scheme.

Computer Aided Chemical Engineering, 2017

Abstract The present work addresses the optimization of a wastewater network. This problem has be... more Abstract The present work addresses the optimization of a wastewater network. This problem has been generally addressed by Non Linear Programming and Mixed-Integer Non Linear Programming models. This study explores the potential of considering the component interrelations by taking into account some major types of lumped parameters namely Biological Oxygen Demand (BOD5) and Chemical Oxygen Demand (COD). Moreover, the combination of the Advanced Oxidation Processes (AOPs) with the conventional biological processes is also investigated. Such combination requires evaluating the increase of the biodegradability by using the BOD5/COD ratio method. Hence, the BOD5/COD ratio method is included into the mathematical formulation to model the removal efficiency of lumped parameters by the treatment units. This allows investigating the role of the component interrelation in the water network optimization problem. The comparison of the results obtained by using a conventional mathematical formulation and the proposed new formulation have shown the importance of accounting for the component interrelations in order to ensure the applicability of the attained solutions.

14th Mediterranean Congress of Chemical Engineering (MeCCE14) Abstracts Publication, 2020

The performance of the Fenton and photo-Fenton processes for the degradation and mineralization o... more The performance of the Fenton and photo-Fenton processes for the degradation and mineralization of Bisphenol A was investigat-ed. A parameterized kinetic model was suitably fitted to the exper-imental data in order to determine two performance parameters related to the global equilibrium conversion and kinetic rate of the process. Further analysis allowed selecting those process condi-tions (iron and hydrogen peroxide load) that maximize the process performance. The Fenton process clearly proved to more efficient-ly degrade Bisphenol A under irradiation. The highest conversion rates were achieved with only the stoichiometric hydrogen perox-ide load and the appropriate iron load (i.e. total Bisphenol A elimination and 90 % TOC decay).

This work aims at proposing a novel modeling approach that can be able to identify an approximate... more This work aims at proposing a novel modeling approach that can be able to identify an approximately unified, causally established coupling between the general photo-Fenton system and the degradation of the arbitrarily chosen organic compounds. The simplified first principles model is based on our idea of consecutive breakage steps, depending on the number of carbon atoms in the molecule to be decomposed. Based on the previous results of combining Direct Computer Mapping based Programmable Structures with experimental design, this paper explains the application of the experimental and computational method for another target, as a first step toward generalization. The model may help experimentation and may also inspire the improvement of practical applications.

Environmental Science and Pollution Research, May 11, 2014

An experimental study of the homogeneous Fenton and photo-Fenton degradation of 4-amidophenol (Pa... more An experimental study of the homogeneous Fenton and photo-Fenton degradation of 4-amidophenol (Paracetamol, PCT) is presented. For all the operation conditions evaluated, PCT degradation is efficiently attained by both Fenton and photo-Fenton processes. Also, photonic efficiencies of PCT degradation and mineralization are determined under different experimental conditions, characterizing the influence of hydrogen peroxide (H 2 O 2) and Fe(II) on both contaminant degradation and sample mineralization. The maximum photonic degradation efficiencies for 5 and 10 mg L-1 Fe(II) were 3.9 (H 2 O 2 = 189 mg L-1) and 5 (H 2 O 2 = 378 mg L-1), respectively. For higher concentrations of oxidant, H 2 O 2 acts as a "scavenger" radical, competing in pollutant degradation and reducing the reaction rate. Moreover, in order to quantify the consumption of the oxidizing agent, the Specific Consumption of the Hydrogen Peroxide was also evaluated. For all operating conditions of both hydrogen peroxide and Fe(II) concentration, the consumption values obtained for Fenton process were always higher than the corresponding values observed for photo-Fenton. This implies a less efficient use of the oxidizing agent for dark conditions.

Journal of Hazardous Materials, Oct 30, 2008

This work studied the photocatalysed oxidation of the antibiotic oxolinic acid (OA) in an annular... more This work studied the photocatalysed oxidation of the antibiotic oxolinic acid (OA) in an annular reactor operated with immobilized TiO(2) on sintered glass cylinders (SGC). Experiments were carried out in 1l solution of OA (18 mg l(-1)) at pH 9 with oxygen bubbling. Irradiation was performed with black light (36 W). The reaction was monitored by COD, TOC and average oxidation state (AOS) calculations. The antibacterial activity of intermediates was followed using the inhibition halo technique on Escherichia coli cultures. The initial antibiotic concentration decreases in one order of magnitude after 60 min irradiation, and was completely eliminated at 100 min reaction. The TOC was reduced in 54% and the AOS reach values around +3 indicating the formation of low molecular weight carboxylic acids. The oxidation reaction fit well with the Langmuir-Hinshelwood kinetic model indicating the dependence of reaction rate with initial adsorption step. The antibacterial activity of the solution decreases with antibiotic removal, demonstrating that intermediates do not present antibiotic activity.

International Journal of Environmental Research and Public Health, May 4, 2021

This article is an open access article distributed under the terms and conditions of the Creative... more This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY

Chemical Engineering Journal, Apr 1, 2021

This work studies in detail the photo-Fenton degradation process of Paracetamol (PCT) on an annul... more This work studies in detail the photo-Fenton degradation process of Paracetamol (PCT) on an annular pilotplant reactor using Computational Fluid Dynamics (CFD). A cylindrical lamp emission model was originally implemented over the structure of the OpenFOAM(R) platform and a multicomponent reaction mixture model was used to compute the temporal evolution of the different species at each point of the reactor. Once the proposed model was experimentally validated, the influence of different operating conditions (i.e. different strategies for hydrogen peroxide (H 2 O 2) dosage, use of low recirculation flow rates (Qr), and a completely uncovered lamp setup) was studied. The results of the analysis showed that a double addition of H 2 O 2 (50% before the tank and 50% before the reactor) significantly reduces the reaction times of the process. Moreover, the overall PCT degradation rate does not change when Qr is increased, thus allowing the system to be operated with a recirculation flow three times lower than that the one used in the experiments. Thereby, the developed model allows identifying the reaction conditions that maximize the overall PCT conversion, making efficient use of H 2 O 2 (main chemical reagent) and reducing the electrical energy consumption (recirculation flow) by operating the system under conditions present in large-scale photochemical reactors.

Fenton and photo-Fenton are Advanced Oxidation processes driven by the supply of hydrogen peroxid... more Fenton and photo-Fenton are Advanced Oxidation processes driven by the supply of hydrogen peroxide (H 2 O 2). However, excessive hydrogen peroxide supply results in unproductive reactions and causes the process performance to decay. Thus, the goal of this work is to systematically compare different H 2 O 2 dosage strategies using a new approach based on monitoring dissolved oxygen as a performance indicator, which is assumed to directly reveal the inefficient consumption of H 2 O 2. The systematic approach proposed is a preliminary test to stablish a general methodology to define an optimal dosage scheme.

Computer-aided chemical engineering, 2018

Abstract The photo-enhanced Fenton process has proved to be an effective alternative to conventio... more Abstract The photo-enhanced Fenton process has proved to be an effective alternative to conventional treatment processes that have shown to be unable to remove Contaminants of Emerging Concern (CECs). A great experimental effort and several modelling approaches have been proposed. Despite of this, the major challenge still remains the identification of an approximately unified, causally established coupling between the general photo-Fenton system and the decontamination of the arbitrarily chosen organic compounds. In the present work, Direct Computer Mapping based Programmable Structures was applied for modelling and simulation based analysis of the experimental results of photo-enhanced decomposition of the paracetamol (PCT). A design of experiments was performed in a 15-L pilot plant, consisting of an annular photo-reactor. A simplified first principles model (FPM), based on the well-known Fenton and photo-Fenton kinetics, and on our suggested idea of consecutive breakage steps, depending on the number of carbon atoms in the molecule to be decomposed, was proposed. This model allowed the fast, approximate combination of the simplified photo-Fenton core with the simplified decomposition reactions of the actual target.

Computer Aided Chemical Engineering

Abstract The photo-enhanced Fenton process has proved to be an effective alternative to conventio... more Abstract The photo-enhanced Fenton process has proved to be an effective alternative to conventional treatment processes that have shown to be unable to remove Contaminants of Emerging Concern (CECs). A great experimental effort and several modelling approaches have been proposed. Despite of this, the major challenge still remains the identification of an approximately unified, causally established coupling between the general photo-Fenton system and the decontamination of the arbitrarily chosen organic compounds. In the present work, Direct Computer Mapping based Programmable Structures was applied for modelling and simulation based analysis of the experimental results of photo-enhanced decomposition of the paracetamol (PCT). A design of experiments was performed in a 15-L pilot plant, consisting of an annular photo-reactor. A simplified first principles model (FPM), based on the well-known Fenton and photo-Fenton kinetics, and on our suggested idea of consecutive breakage steps, depending on the number of carbon atoms in the molecule to be decomposed, was proposed. This model allowed the fast, approximate combination of the simplified photo-Fenton core with the simplified decomposition reactions of the actual target.

Computer Aided Chemical Engineering

Science of The Total Environment

International Journal of Environmental Research and Public Health, 2021

This work addresses the dosage of H2O2 in photo-Fenton processes and the monitoring of Dissolved ... more This work addresses the dosage of H2O2 in photo-Fenton processes and the monitoring of Dissolved oxygen (DO) that can be used to drive the dosage of H2O2. The objective of this work is to show that a smarter monitoring of a process variable such as DO (for which on-line measurement can be inexpensively obtained) enables the proposal and implementation of efficient dosage strategies. The work explores the application of a recent proposed strategy consisting of: (i) initial H2O2 addition, (ii) continuous H2O2 addition until a DO set up is reached, and (iii) automatic H2O2 addition by an on-off control system based on DO slope monitoring, and applies it to the treatment of different individual contaminants and their mixtures (paracetamol and sulfamethazine). The assays performed following this dosage strategy showed improved values of TOC removed per H2O2 consumed. For the case of sulfamethazine, this improvement increased up to 25–35% with respect to the efficiency obtained without do...

The AIMS project proposal addresses the challenges associated to the "efficient use of resou... more The AIMS project proposal addresses the challenges associated to the "efficient use of resources and raw materials" and to the use of "clean, efficient and safe energy systems" in the Process Industries from a holistic, non-hierarchical and cross-sectoral point of view. Departing from the limitations imposed by the conservation and transfer laws, AIMS will rely on the Process Systems Engineering (PSE) approach to propose efficient ways to intensify the interactions between different processing systems and supply chains, identifying and promoting Industrial Symbiosis opportunities, and fostering collaborative decision-making and circular economy solutions. The proposal is aimed at overcoming the limitations of the current ad-hoc Industrial Symbiosis approaches, based on identifying opportunities through expert analysis. These strategies, even after a systematic local search, usually lead to sub-optimal solutions. On the contrary, the solutions to be proposed through AIMS will be based on the systematic collection and processing of data, the use of common models ensuring interoperability between information and knowledge management tools, and the transparent assessment of solutions. Thus, AIMS will develop models, methods and tools able to identify efficient resource processing and transformation networks under three working paradigms: Unified approach: development of holistic tools to harmonize concerns and constraints (economic, environmental and social) from the different stakeholders involved; Multi-scale view: integration of operational, tactical and strategic decision-making levels within a global, unified and consistent information model; Multi-sectoral applicability: Adaptability to open systems, independent from specific industrial sectors or scenarios, and from the geographic or macroeconomic context. The models to be developed shall be able to consider two basic aspects of the problem, often over-simplified or even ignored: the existence of multiple, conflicting, non-additive objectives, and the uncertainty associated to the lack of reliable information, not always revealed by the competing counterparts. In order to formulate and solve the resulting models, multi-objective optimization approaches will be complemented with decomposition strategies, methods based on game theories, and metaheuristics. Extensive use of model reduction techniques and sensitivity analysis methods is expected to discard noise, seize relevant factors for decision making and finally improve the efficiency of the required optimization strategies. The systematic methods and tools to be developed will be validated on a diverse set of cases, both from academia and industry, at large and reduced scale. Case studies will involve process industries and networks (chemical, petrochemical, oil & gas, agro-food, etc.), for which simultaneous management of shared resources will be addressed taking into account economic, environmental and social concerns, in accordance with the EU Responsible Research & Innovation policy. Applications in renewable energy, water treatment, etc. and circular economy initiatives led by organizations from the third sector will be also addressed, demonstrating AIMS potential to identify alternatives promoting the efficient use of resources, and further validating the generality of the approach and the specific procedures developed

31st European Symposium on Computer Aided Process Engineering, 2021

Abstract The combined use of Advanced Oxidation Processes (AOP) and conventional bio-processes ha... more Abstract The combined use of Advanced Oxidation Processes (AOP) and conventional bio-processes has been suggested for the efficient treatment of wastewaters with a significant presence of recalcitrant contaminants. However, no models have been proposed to describe such combined processes, which prevents further design and operational optimization. Thus, by combining models previously reported this work contributes a first model integrating AOPs and bio-processes. Mass balances were reformulated by consistently linking the variables used in each model. The model was implemented using Simulink® and it was tested and analyzed using several process configurations (photo-Fenton processes followed by a biological treatment as well as a biological treatment followed by a photo-Fenton process). The outlet concentrations of total organic carbon (TOC) and substrate (S) were monitored for various wastewater compositions, which allowed analyzing the performance of the integrated system and suggesting suitable treatment arrangements. Different treatment options were discussed and the capability of the integrated bio/AOP and AOP/bio models was shown to allow a systematic approach to design, operation, and control of integrated wastewater treatment plants in the future. Further research will be oriented to improve the understanding of the potential key parameters as well as their inclusion in the model.

International Journal of Environmental Research and Public Health, 2021

Sulfaquinoxaline (SQX) has been detected in environmental water samples, where its side effects a... more Sulfaquinoxaline (SQX) has been detected in environmental water samples, where its side effects are still unknown. To the best of our knowledge, its oxidation by Fenton and photo-Fenton processes has not been previously reported. In this study, SQX oxidation, mineralization, and toxicity (Escherichia coli and Staphylococcus aureus bacteria) were evaluated at two different setups: laboratory bench (2 L) and pilot plant (15 L). The experimental design was used to assess the influence of the presence or absence of radiation source, as well as different H2O2 concentrations (94.1 to 261.9 mg L−1). The experimental conditions of both setups were: SQX = 25 mg L−1, Fe(II) = 10 mg L−1, pH 2.8 ± 0.1. Fenton and photo-Fenton were suitable for SQX oxidation and experiments resulted in higher SQX mineralization than reported in the literature. For both setups, the best process was the photo-Fenton (178.0 mg L−1 H2O2), for which over 90% of SQX was removed, over 50% mineralization, and bacterial ...

14th Mediterranean Congress of Chemical Engineering (MeCCE14) Abstracts Publication, 2020

Fenton and photo-Fenton are Advanced Oxidation processes driven by the supply of hydrogen peroxid... more Fenton and photo-Fenton are Advanced Oxidation processes driven by the supply of hydrogen peroxide (H 2 O 2). However, excessive hydrogen peroxide supply results in unproductive reactions and causes the process performance to decay. Thus, the goal of this work is to systematically compare different H 2 O 2 dosage strategies using a new approach based on monitoring dissolved oxygen as a performance indicator, which is assumed to directly reveal the inefficient consumption of H 2 O 2. The systematic approach proposed is a preliminary test to stablish a general methodology to define an optimal dosage scheme.

Computer Aided Chemical Engineering, 2017

Abstract The present work addresses the optimization of a wastewater network. This problem has be... more Abstract The present work addresses the optimization of a wastewater network. This problem has been generally addressed by Non Linear Programming and Mixed-Integer Non Linear Programming models. This study explores the potential of considering the component interrelations by taking into account some major types of lumped parameters namely Biological Oxygen Demand (BOD5) and Chemical Oxygen Demand (COD). Moreover, the combination of the Advanced Oxidation Processes (AOPs) with the conventional biological processes is also investigated. Such combination requires evaluating the increase of the biodegradability by using the BOD5/COD ratio method. Hence, the BOD5/COD ratio method is included into the mathematical formulation to model the removal efficiency of lumped parameters by the treatment units. This allows investigating the role of the component interrelation in the water network optimization problem. The comparison of the results obtained by using a conventional mathematical formulation and the proposed new formulation have shown the importance of accounting for the component interrelations in order to ensure the applicability of the attained solutions.

14th Mediterranean Congress of Chemical Engineering (MeCCE14) Abstracts Publication, 2020

The performance of the Fenton and photo-Fenton processes for the degradation and mineralization o... more The performance of the Fenton and photo-Fenton processes for the degradation and mineralization of Bisphenol A was investigat-ed. A parameterized kinetic model was suitably fitted to the exper-imental data in order to determine two performance parameters related to the global equilibrium conversion and kinetic rate of the process. Further analysis allowed selecting those process condi-tions (iron and hydrogen peroxide load) that maximize the process performance. The Fenton process clearly proved to more efficient-ly degrade Bisphenol A under irradiation. The highest conversion rates were achieved with only the stoichiometric hydrogen perox-ide load and the appropriate iron load (i.e. total Bisphenol A elimination and 90 % TOC decay).

This work aims at proposing a novel modeling approach that can be able to identify an approximate... more This work aims at proposing a novel modeling approach that can be able to identify an approximately unified, causally established coupling between the general photo-Fenton system and the degradation of the arbitrarily chosen organic compounds. The simplified first principles model is based on our idea of consecutive breakage steps, depending on the number of carbon atoms in the molecule to be decomposed. Based on the previous results of combining Direct Computer Mapping based Programmable Structures with experimental design, this paper explains the application of the experimental and computational method for another target, as a first step toward generalization. The model may help experimentation and may also inspire the improvement of practical applications.