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Dr. Rui P. V. Faria
Laboratory of Separation and Reaction Engineering - Laboratory of Catalysis and Materials, Departamento de Engenharia Química, Faculdade de Engenharia da Universidade do Porto, 4200-465 Porto – Portugal

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0 Chemical Reaction Engineering
0 Chromatographic separation processes
0 Adsorption-based reactive separation processes
0 Simulated moving bed technology
0 Process modeling and simulation

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Simulated moving bed technology

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Review
Published: 22 May 2021 in Molecules
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In the last two decades, scientific methodologies for the prediction of the design, performance and classification of fragrance mixtures have been developed at the Laboratory of Separation and Reaction Engineering. This review intends to give an overview of such developments. It all started with the question: what do we smell? The Perfumery Ternary Diagram enables us to determine the dominant odor for each perfume composition. Evaporation and 1D diffusion model is analyzed based on vapor-liquid equilibrium and Fick’s law for diffusion giving access to perfume performance parameters. The effect of matrix and skin is addressed and the trail of perfumes analyzed. Classification of perfumes with the perfumery radar is discussed. The methodology is extended to flavor and taste engineering. Finally, future research directions are suggested.

ACS Style

Alírio Rodrigues; Idelfonso Nogueira; Rui Faria. Perfume and Flavor Engineering: A Chemical Engineering Perspective. Molecules 2021, 26, 3095 .

AMA Style

Alírio Rodrigues, Idelfonso Nogueira, Rui Faria. Perfume and Flavor Engineering: A Chemical Engineering Perspective. Molecules. 2021; 26 (11):3095.

Chicago/Turabian Style

Alírio Rodrigues; Idelfonso Nogueira; Rui Faria. 2021. "Perfume and Flavor Engineering: A Chemical Engineering Perspective." Molecules 26, no. 11: 3095.

Research article
Published: 10 May 2021 in Industrial & Engineering Chemistry Research
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A process for catalytic production of dihydroxyacetone through glycerol oxidation and dihydroxyacetone purification by chromatographic processes is herein presented. Glycerol oxidation over commercial Pt/AC and Pt–Bi/AC catalysts was performed on a batch reactor operating under base-free conditions, using water as a solvent and oxygen as the oxidant agent. The highest dihydroxyacetone yield obtained was 36%, using the Pt5%-Bi1.5%/AC catalyst, whereas the monometallic Pt/AC catalyst was selective to glyceric acid. It is herein reported for the first time dihydroxyacetone separation from unreacted glycerol and reaction byproducts (organic acids). Two commercial polystyrene-divinylbenzene ion-exchange resins were used as a stationary phase, one in the hydrogen form and the other in the calcium form, and water was used as the mobile phase. Adsorption equilibrium data for the species present in the reaction mixture were determined in both resins through single-component adsorption breakthrough experiments. A continuous chromatographic separation process was designed based on the simulated moving bed (SMB) technology and simulated using the gPROMS model builder software. A two SMB cascade was then considered, performing the pseudobinary mixture separation on the first SMB. The extract stream from the first SMB containing dihydroxyacetone and glycerol was fed to the second SMB, obtaining dihydroxyacetone with a purity of 97%. Considering the overall unit, a dihydroxyacetone productivity of 64 kgDHA (LAds day)−1 was obtained with an eluent consumption of 1218 LDes kgDHA–1.

ACS Style

Pedro M. Walgode; Lucas C. D. Coelho; Rui P. V. Faria; Alírio E. Rodrigues. Dihydroxyacetone Production: From Glycerol Catalytic Oxidation with Commercial Catalysts to Chromatographic Separation. Industrial & Engineering Chemistry Research 2021, 60, 10551 -10565.

AMA Style

Pedro M. Walgode, Lucas C. D. Coelho, Rui P. V. Faria, Alírio E. Rodrigues. Dihydroxyacetone Production: From Glycerol Catalytic Oxidation with Commercial Catalysts to Chromatographic Separation. Industrial & Engineering Chemistry Research. 2021; 60 (29):10551-10565.

Chicago/Turabian Style

Pedro M. Walgode; Lucas C. D. Coelho; Rui P. V. Faria; Alírio E. Rodrigues. 2021. "Dihydroxyacetone Production: From Glycerol Catalytic Oxidation with Commercial Catalysts to Chromatographic Separation." Industrial & Engineering Chemistry Research 60, no. 29: 10551-10565.

Review
Published: 21 April 2021 in Sustainable Chemistry
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With the global biodiesel production growing as never seen before, encouraged by government policies, fiscal incentives, and emissions laws to control air pollution, there has been the collateral effect of generating massive amounts of crude glycerol, a by-product from the biodiesel industry. The positive effect of minimizing CO2 emissions using biofuels is jeopardized by the fact that the waste generated by this industry represents an enormous environmental disadvantage. The strategy of viewing “waste as a resource” led the scientific community to propose numerous processes that use glycerol as raw material. Solketal, the product of the reaction of glycerol and acetone, stands out as a promising fuel additive capable of enhancing fuel octane number and oxidation stability, diminishing particle emissions and gum formation, and enhancing properties at low temperatures. The production of this chemical can rely on several of the Green Chemistry principles, besides fitting the Circular Economy Model, once it can be reinserted in the biofuel production chain. This paper reviews the recent advances in solketal production, focusing on continuous production processes and on Process Intensification strategies. The performance of different catalysts under various operational conditions is summarized and the proposed industrial solketal production processes are compared.

ACS Style

Isabella Corrêa; Rui Faria; Alírio Rodrigues. Continuous Valorization of Glycerol into Solketal: Recent Advances on Catalysts, Processes, and Industrial Perspectives. Sustainable Chemistry 2021, 2, 286 -324.

AMA Style

Isabella Corrêa, Rui Faria, Alírio Rodrigues. Continuous Valorization of Glycerol into Solketal: Recent Advances on Catalysts, Processes, and Industrial Perspectives. Sustainable Chemistry. 2021; 2 (2):286-324.

Chicago/Turabian Style

Isabella Corrêa; Rui Faria; Alírio Rodrigues. 2021. "Continuous Valorization of Glycerol into Solketal: Recent Advances on Catalysts, Processes, and Industrial Perspectives." Sustainable Chemistry 2, no. 2: 286-324.

Research article
Published: 20 April 2021 in Industrial & Engineering Chemistry Research
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Two mathematical models were coupled to quantitatively assess the effect of cross-link density on the catalytic activity of sulfonated styrene–divinylbenzene (DVB) resins: (I) a copolymerization model comprised of the mass balances of species and sequences, which is used to quantify inaccessible catalytic sites, and (II) a second-order pseudohomogeneous kinetic model to describe the catalyzed reactions. The fraction of inaccessible sites ranged from 10% to 72% of the total sites for resins with 4% and 20% DVB, respectively. It was found that chain segments with six or less monomer units between cross-links contain inaccessible sites for the catalyzed reactions studied herein. The mathematical approach was validated with 53 catalysis experiments from the literature and provided good agreements. A linear correlation for the fraction of inaccessible sites as a function of sequences distribution was proposed and validated, providing R2 = 0.992. These results can represent a valuable tool to improve the performance of styrene–DVB-based catalysts.

ACS Style

Leandro G. Aguiar; William M. Godoy; Leonardo Nápolis; Rui P. V. Faria; Alírio E. Rodrigues. Modeling the Effect of Cross-Link Density on Resins Catalytic Activities. Industrial & Engineering Chemistry Research 2021, 60, 6101 -6110.

AMA Style

Leandro G. Aguiar, William M. Godoy, Leonardo Nápolis, Rui P. V. Faria, Alírio E. Rodrigues. Modeling the Effect of Cross-Link Density on Resins Catalytic Activities. Industrial & Engineering Chemistry Research. 2021; 60 (17):6101-6110.

Chicago/Turabian Style

Leandro G. Aguiar; William M. Godoy; Leonardo Nápolis; Rui P. V. Faria; Alírio E. Rodrigues. 2021. "Modeling the Effect of Cross-Link Density on Resins Catalytic Activities." Industrial & Engineering Chemistry Research 60, no. 17: 6101-6110.

Journal article
Published: 20 January 2021 in Processes
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Simulated moving bed technology is applied in the field of pharmaceutical, petrochemical and fine chemistry. It shows capability in separating multicomponent mixtures up to high purities. In this work, an attempt was made to optimize the production of 1,1-diethoxybutane (DEB), using the simulated moving bed technology. A fixed bed model is made with good agreement with experimental results. This fixed bed model was expanded to a simulated moving bed model. This model was used to determine the optimum conditions regarding the switching time and flowrates in each section. From this model, the optimum switching time was found to be 2.4 min, and the ratio of liquid flowrate over the solid flowrate was found to be 4.24, 1.77, 3.03 and 1.35, respectively. Under those conditions, the productivity was 19.8 kg DEB per liter of adsorbent per day, and the desorbent consumption was 6.1 L of ethanol per kg of DEB. The results were obtained with a minimum purity of the extract and raffinate of 97%.

ACS Style

Jasper Spitters; Jonathan C. Gonçalves; Rui P. V. Faria; Alírio E. Rodrigues. Optimization of the Production of 1,1-Diethoxybutane by Simulated Moving Bed Reactor. Processes 2021, 9, 189 .

AMA Style

Jasper Spitters, Jonathan C. Gonçalves, Rui P. V. Faria, Alírio E. Rodrigues. Optimization of the Production of 1,1-Diethoxybutane by Simulated Moving Bed Reactor. Processes. 2021; 9 (2):189.

Chicago/Turabian Style

Jasper Spitters; Jonathan C. Gonçalves; Rui P. V. Faria; Alírio E. Rodrigues. 2021. "Optimization of the Production of 1,1-Diethoxybutane by Simulated Moving Bed Reactor." Processes 9, no. 2: 189.

Website
Published: 09 August 2020 in Advances in Chromatography Volume 57
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The efficiency of the process can be significantly increased by operating in a continuous countercurrent mode, the most powerful of which, in terms of performance and feasibility, is created by simulated moving bed (SMB) technology. Universal Oil Product’s Olex processes separate olefins from paraffins in liquid phase using SMB technology. The Sarex process, part of the Sorbex family, uses SMB technology with X and Y zeolite adsorbents with exchangeable cations; later on, ion-exchange resins, namely polystyrene resins in calcium form, were reported in the patent literature since fructose has a higher affinity for calcium ions. The introduction of the SMB in the pharmaceutical industry, mainly for the purification of chiral compounds, is seen by some authors as the start of a new era for this technology. Ion-exchange chromatography also plays an important role in biopharmaceutical manufacturing processes based on SMB technology.

ACS Style

Rui P. V. Faria; Jonathan C. Gonçalves; Alírio E. Rodrigues. Advances in Simulated Moving Bed Technology. Advances in Chromatography Volume 57 2020, 163 -236.

AMA Style

Rui P. V. Faria, Jonathan C. Gonçalves, Alírio E. Rodrigues. Advances in Simulated Moving Bed Technology. Advances in Chromatography Volume 57. 2020; ():163-236.

Chicago/Turabian Style

Rui P. V. Faria; Jonathan C. Gonçalves; Alírio E. Rodrigues. 2020. "Advances in Simulated Moving Bed Technology." Advances in Chromatography Volume 57 , no. : 163-236.

Research article
Published: 29 May 2020 in Industrial & Engineering Chemistry Research
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ACS Style

Jonathan C. Gonçalves; Rui P. V. Faria; Alexandre F. P. Ferreira; Alirio Egidio Rodrigues. Optimization of a Simulated Moving Bed Unit within an Existing and Revamped Aromatics Complex with Crystallization and Toluene Methylation Units. Industrial & Engineering Chemistry Research 2020, 59, 11570 -11581.

AMA Style

Jonathan C. Gonçalves, Rui P. V. Faria, Alexandre F. P. Ferreira, Alirio Egidio Rodrigues. Optimization of a Simulated Moving Bed Unit within an Existing and Revamped Aromatics Complex with Crystallization and Toluene Methylation Units. Industrial & Engineering Chemistry Research. 2020; 59 (25):11570-11581.

Chicago/Turabian Style

Jonathan C. Gonçalves; Rui P. V. Faria; Alexandre F. P. Ferreira; Alirio Egidio Rodrigues. 2020. "Optimization of a Simulated Moving Bed Unit within an Existing and Revamped Aromatics Complex with Crystallization and Toluene Methylation Units." Industrial & Engineering Chemistry Research 59, no. 25: 11570-11581.

Review
Published: 19 May 2020 in Catalysis Reviews
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The world’s biodiesel increasing production is leading to the accumulation of its main by-product, crude glycerol, with almost no economic value, which valorization is crucial to increase biodiesel production sustainability and competitiveness. Glycerol is a potential platform chemical, with several valorization routes identified. Among them, selective catalytic aerobic oxidation is an attractive and sustainable solution, as high added value products ensure the process robustness against raw material price fluctuations. When glycerol’s secondary hydroxyl group is selectively oxidized, dihydroxyacetone (DHA) is obtained. DHA is a high added value compound, used in cosmetics as the active compound in sunless skin tanning lotions, and its current industrial production by bio-fermentation is not satisfactory; therefore a more efficient production process is needed to overcome the market deficit. The state-of-the-art of DHA production by glycerol aerobic catalytic oxidation in the liquid phase with water as solvent was reviewed and, although it is still in the lab-scale phase, some routes to reach a robust commercial application were already suggested. For DHA production, catalysts should be active under base free conditions, in order to achieve high DHA selectivity. Promoted Pt nanoparticles, as Pt-Bi and Pt-Sb supported in carbon and mesoporous materials, and Au nanoparticles, supported late transition metal oxides as Au/CuO and Au/ZnO, are among the most promising catalysts for high DHA yield processes. For a better understanding of the main variables associated with this process, the effect of catalyst support, particle size, preparation and activation methods, and catalyst deactivation problems were analyzed. In addition, the reaction conditions effect in catalyst performance, including the presence of crude glycerol impurities was considered. Finally, the main studies regarding DHA continuous flow production were reviewed, identifying the major obstacles to overcome, so that commercial DHA production processes through glycerol aerobic catalytic oxidation can finally be implemented.

ACS Style

Pedro M. Walgode; Rui P. V. Faria; Alírio E. Rodrigues. A review of aerobic glycerol oxidation processes using heterogeneous catalysts: a sustainable pathway for the production of dihydroxyacetone. Catalysis Reviews 2020, 1 -90.

AMA Style

Pedro M. Walgode, Rui P. V. Faria, Alírio E. Rodrigues. A review of aerobic glycerol oxidation processes using heterogeneous catalysts: a sustainable pathway for the production of dihydroxyacetone. Catalysis Reviews. 2020; ():1-90.

Chicago/Turabian Style

Pedro M. Walgode; Rui P. V. Faria; Alírio E. Rodrigues. 2020. "A review of aerobic glycerol oxidation processes using heterogeneous catalysts: a sustainable pathway for the production of dihydroxyacetone." Catalysis Reviews , no. : 1-90.

Journal article
Published: 04 April 2020 in Journal of Advanced Manufacturing and Processing
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ACS Style

Dânia S. M. Constantino; Rui P. V. Faria; Ana M. Ribeiro; Alírio E. Rodrigues. Process re‐intensification strategy for butyl acrylate manufacturing: Enhancement, scaling‐up and economical evaluation. Journal of Advanced Manufacturing and Processing 2020, 2, 1 .

AMA Style

Dânia S. M. Constantino, Rui P. V. Faria, Ana M. Ribeiro, Alírio E. Rodrigues. Process re‐intensification strategy for butyl acrylate manufacturing: Enhancement, scaling‐up and economical evaluation. Journal of Advanced Manufacturing and Processing. 2020; 2 (3):1.

Chicago/Turabian Style

Dânia S. M. Constantino; Rui P. V. Faria; Ana M. Ribeiro; Alírio E. Rodrigues. 2020. "Process re‐intensification strategy for butyl acrylate manufacturing: Enhancement, scaling‐up and economical evaluation." Journal of Advanced Manufacturing and Processing 2, no. 3: 1.

Research article
Published: 28 January 2020 in Industrial & Engineering Chemistry Research
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New process intensification strategies for butyl acrylate production are emerging as an alternative to the conventional multistage process, where high temperatures and homogeneous catalysts are used. In this work, a novel approach is presented focusing on pervaporation and sorption enhanced reaction based cyclic processes, the Simulated Moving Bed Membrane Reactor, also known as PermSMBR. Different configurations of membranes combined with Simulated Moving Bed Reactor were investigated: integrated, comprising membranes packed with Amberlyst-15 ion exchange resin, and coupled, consisting of several hydrophilic membranes each of which followed by a fixed-bed adsorptive reactor. Mathematical models were implemented to predict the PermSMBR performance with the different configurations. For that, in this work, the mathematical model for the Simulated Moving Bed Reactor was, firstly, validated by carrying out different experimental runs. Afterwards, fundamental pervaporation data were taken into account to investigate numerically the PermSMBR process. The maximum performance was achieved with the integrated PermSMBR configuration, which demonstrated to be the best strategy for the BAc production presenting a productivity of 8.00 (kgBAc.(Lads-1.day-1)), which is 33 % higher than that obtained in the conventional SMBR. Moreover, this strategy allows a significant reduction in the eluent consumption, 32 %, relatively to SMBR for the same conversion (≥ 99 %) and purity criteria (≥ 99.5 %), due to the more effective water removal favoring the solid regeneration step.

ACS Style

Dânia S. M. Constantino; Rui P. V. Faria; Ana Mafalda Ribeiro; Alirio Egidio Rodrigues. Pervaporation and Sorption Enhanced Reactive Cyclic Processes: The Butyl Acrylate Case Study. Industrial & Engineering Chemistry Research 2020, 59, 2817 -2827.

AMA Style

Dânia S. M. Constantino, Rui P. V. Faria, Ana Mafalda Ribeiro, Alirio Egidio Rodrigues. Pervaporation and Sorption Enhanced Reactive Cyclic Processes: The Butyl Acrylate Case Study. Industrial & Engineering Chemistry Research. 2020; 59 (7):2817-2827.

Chicago/Turabian Style

Dânia S. M. Constantino; Rui P. V. Faria; Ana Mafalda Ribeiro; Alirio Egidio Rodrigues. 2020. "Pervaporation and Sorption Enhanced Reactive Cyclic Processes: The Butyl Acrylate Case Study." Industrial & Engineering Chemistry Research 59, no. 7: 2817-2827.

Research article
Published: 22 January 2020 in Industrial & Engineering Chemistry Research
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Biodiesel production has been generating increasing amounts of glycerol as by-product, therefore effective strategies are required to convert it into valuable chemicals to enhance the sustainability of the biodiesel production chain. In this work, solketal was synthesized by reacting glycerol with acetone (in the presence of ethanol) in a fixed bed adsorptive reactor packed with Amberlyst-35. Additionally, adsorption equilibrium isotherms for all the compounds of the process were determined at 313 K through a frontal analysis methodology and the results were fitted through a competitive multicomponent Langmuir model. It was possible to conclude that water was the most adsorbed compound while solketal was the least. The potential for implementation of sorption enhanced reactive processes was experimentally demonstrated since the conversion values transitorily attained during the solketal synthesis process were approximately 30% above the equilibrium values. Finally, all the experimental results were accompanied by numerical simulation using a comprehensive mathematical model that was able to accurately describe the results.

ACS Style

Miguel N. Moreira; Isabella Pires Ferreira Corrêa; Ana Mafalda Ribeiro; Alirio Egidio Rodrigues; Rui P. V. Faria. Solketal Production in a Fixed Bed Adsorptive Reactor through the Ketalization of Glycerol. Industrial & Engineering Chemistry Research 2020, 59, 2805 -2816.

AMA Style

Miguel N. Moreira, Isabella Pires Ferreira Corrêa, Ana Mafalda Ribeiro, Alirio Egidio Rodrigues, Rui P. V. Faria. Solketal Production in a Fixed Bed Adsorptive Reactor through the Ketalization of Glycerol. Industrial & Engineering Chemistry Research. 2020; 59 (7):2805-2816.

Chicago/Turabian Style

Miguel N. Moreira; Isabella Pires Ferreira Corrêa; Ana Mafalda Ribeiro; Alirio Egidio Rodrigues; Rui P. V. Faria. 2020. "Solketal Production in a Fixed Bed Adsorptive Reactor through the Ketalization of Glycerol." Industrial & Engineering Chemistry Research 59, no. 7: 2805-2816.

Research article
Published: 05 September 2019 in Industrial & Engineering Chemistry Research
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In this work, the main results of a thermodynamic and kinetic study of glycerol ketalization to produce solketal in the presence of a solvent are presented. A catalyst and a solvent screening was carried out leading to the selection of Amberlyst-35 ion-exchange resin and ethanol as the most suitable materials for this reaction. A parametric study allowed to determine reaction equilibrium and kinetic parameters in a batch reactor in the absence of external mass transfer limitations. Regarding reaction thermodynamic equilibrium a standard enthalpy of -20.1 ± 1.1 kJ mol-1 and a Gibbs free energy of 1.4 ± 0.3 kJ mol-1 was obtained. Reaction kinetics was studied assuming different reaction rate laws to fit the experimental data obtained: Pseudo-Homogeneous (PH), Langmuir–Hinshelwood–Hougen–Watson (LHHW) and Eley–Rideal (ER). The experimental results revealed that the reaction kinetics behavior could be accurately described by the LHHW reaction rate law, considering the presence of internal mass-transfer resistances. The activation energy for the overall reaction was found to be 69.0 ± 6.6 kJ mol-1.

ACS Style

Miguel N. Moreira; Rui P. V. Faria; Ana Mafalda Ribeiro; Alirio Egidio Rodrigues. Solketal Production from Glycerol Ketalization with Acetone: Catalyst Selection and Thermodynamic and Kinetic Reaction Study. Industrial & Engineering Chemistry Research 2019, 58, 17746 -17759.

AMA Style

Miguel N. Moreira, Rui P. V. Faria, Ana Mafalda Ribeiro, Alirio Egidio Rodrigues. Solketal Production from Glycerol Ketalization with Acetone: Catalyst Selection and Thermodynamic and Kinetic Reaction Study. Industrial & Engineering Chemistry Research. 2019; 58 (38):17746-17759.

Chicago/Turabian Style

Miguel N. Moreira; Rui P. V. Faria; Ana Mafalda Ribeiro; Alirio Egidio Rodrigues. 2019. "Solketal Production from Glycerol Ketalization with Acetone: Catalyst Selection and Thermodynamic and Kinetic Reaction Study." Industrial & Engineering Chemistry Research 58, no. 38: 17746-17759.

Review
Published: 28 June 2019 in Chemical Engineering and Processing - Process Intensification
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Butyl Acrylate is one of the most important acrylic monomers presenting great potential for several industrial applications mainly in surface coating field. Hence, the global butyl acrylate market has grown in the last years and, accordingly, the development of better alternatives to the conventional process, which involves a multistage procedure and homogeneous catalysis, is increasingly gaining the attention of the scientific community. This paper summarizes the state-of-the-art of butyl acrylate production and the main results achieved. Patented processes and process integration strategies studied so far are addressed as well as a brief review on the key economic indicators of each process scaled up at industrial scale suggested in the literature. Currently, process integration based strategies with focus on reactive distillation technology and chromatographic reactors (process intensification methods) have been pointed out as alternative routes for the continuous production of butyl acrylate. In summary, from the industrial point of view, Simulated Moving Bed Reactors based processes seem to be one of the most attractive due to its key economic indicators, presenting an economic potential of 30,500 €/y, which is approximately three times higher than the remaining studied processes.

ACS Style

Dânia S.M. Constantino; Rui P.V. Faria; Ana M. Ribeiro; Alírio. E. Rodrigues. Butyl acrylate production: A review on process intensification strategies. Chemical Engineering and Processing - Process Intensification 2019, 142, 107563 .

AMA Style

Dânia S.M. Constantino, Rui P.V. Faria, Ana M. Ribeiro, Alírio. E. Rodrigues. Butyl acrylate production: A review on process intensification strategies. Chemical Engineering and Processing - Process Intensification. 2019; 142 ():107563.

Chicago/Turabian Style

Dânia S.M. Constantino; Rui P.V. Faria; Ana M. Ribeiro; Alírio. E. Rodrigues. 2019. "Butyl acrylate production: A review on process intensification strategies." Chemical Engineering and Processing - Process Intensification 142, no. : 107563.

Journal article
Published: 10 June 2019 in Computers & Chemical Engineering
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The n-Propyl Propionate (ProPro) is used as solvents for paints and inks, as well as food and perfume additives, generally considered as one of the best environmental option. However, its reaction system presents a complex Vapor Liquid Equilibrium with four azeotropes. Those previous points motivate the development of studies about new production routes for ProPro. In this work, a study of the synthesis of n-Propyl Propionate in a Fixed Bed Adsorptive Reactor packed with Amberlys 46 resin at 313 K is presented. A phenomenological model to represent this process is developed and it is validated through experiments in a lab-scale unit. The characterization of the uncertainties of experiments, parameters and its extension to the model prediction is done. The results showed that the model was able to predict with precision the experiments and the uncertainty analysis allowed a more statistically reliable model prediction.

ACS Style

Idelfonso B.R. Nogueira; Rui Faria; Alírio E. Rodrigues; José M. Loureiro; Ana M. Ribeiro. Chromatographic studies of n-Propyl Propionate, Part II: Synthesis in a fixed bed adsorptive reactor, modelling and uncertainties determination. Computers & Chemical Engineering 2019, 128, 164 -173.

AMA Style

Idelfonso B.R. Nogueira, Rui Faria, Alírio E. Rodrigues, José M. Loureiro, Ana M. Ribeiro. Chromatographic studies of n-Propyl Propionate, Part II: Synthesis in a fixed bed adsorptive reactor, modelling and uncertainties determination. Computers & Chemical Engineering. 2019; 128 ():164-173.

Chicago/Turabian Style

Idelfonso B.R. Nogueira; Rui Faria; Alírio E. Rodrigues; José M. Loureiro; Ana M. Ribeiro. 2019. "Chromatographic studies of n-Propyl Propionate, Part II: Synthesis in a fixed bed adsorptive reactor, modelling and uncertainties determination." Computers & Chemical Engineering 128, no. : 164-173.

Journal article
Published: 23 January 2019 in Computers & Chemical Engineering
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The Particles Swarm Optimization (PSO) is an optimization technique that has been gaining attention in the last years. In this work, the PSO method is applied to optimize the productivity and the eluent consumption of the separation of the bi-naphthol enantiomers in a True Moving Bed (TMB) device. Three optimization strategies are presented: the two-steps optimization, the single optimization and a new version of the PSO algorithm, the Parallel PSO. All the three strategies showed to be efficient to perform the desired optimization. Comparing in terms of productivity and computation time (represented by the number of iterations), the Parallel PSO appeared to be the best compromise, which emphasizes the relevance of this new version to perform the optimization of the mentioned separation process. Generally, The TMB optimization results presented in this work had an average productivity that was 30% higher than the results previously reported in the literature. The best result was obtained using the Parallel PSO strategy in which a productivity of 209.2 g/Lads/day (corresponding to an eluent consumption of only 83.9 dL/g) was achieved. As the TMB is only a theoretical model, simulations with Simulated Moving Bed (SMB) devices with four, eight and twelve columns were obtained using the equivalence between the two models, and the results were compared.

ACS Style

Joana Matos; Rui P.V. Faria; Idelfonso B.R. Nogueira; José M. Loureiro; Ana M. Ribeiro. Optimization strategies for chiral separation by true moving bed chromatography using Particles Swarm Optimization (PSO) and new Parallel PSO variant. Computers & Chemical Engineering 2019, 123, 344 -356.

AMA Style

Joana Matos, Rui P.V. Faria, Idelfonso B.R. Nogueira, José M. Loureiro, Ana M. Ribeiro. Optimization strategies for chiral separation by true moving bed chromatography using Particles Swarm Optimization (PSO) and new Parallel PSO variant. Computers & Chemical Engineering. 2019; 123 ():344-356.

Chicago/Turabian Style

Joana Matos; Rui P.V. Faria; Idelfonso B.R. Nogueira; José M. Loureiro; Ana M. Ribeiro. 2019. "Optimization strategies for chiral separation by true moving bed chromatography using Particles Swarm Optimization (PSO) and new Parallel PSO variant." Computers & Chemical Engineering 123, no. : 344-356.

Journal article
Published: 27 September 2018 in Computers & Chemical Engineering
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The n-Propyl Propionate (ProPro) is a compound that has several possible industrial applications. However, the current production route of this component presents several problems, such as the downstream purification. In this way, chromatographic separation could be an alternative solution to the downstream purification. In this work experimental studies of the ProPro reaction system separation in a chromatographic fixed bed unit packed with Amberlyst 46 were performed. The adsorption equilibrium isotherms and the corresponding Langmuir model parameters were determined. A phenomenological model to represent the process was developed and validated through the experimental data. Meanwhile, it is proposed the characterization of the uncertainties of all steps and its extension to the model prediction, which allowed to estimate the model parameters with a reduced number of experiments, when compared with other reports in the literature; nevertheless, the final results lead to a statistically more reliable model.

ACS Style

Idelfonso B.R. Nogueira; Rui P.V. Faria; Reiner Requião; Hannu Koivisto; Marcio Martins; Alírio E. Rodrigues; José M. Loureiro; Ana M. Ribeiro. Chromatographic studies of n-Propyl Propionate: Adsorption equilibrium, modelling and uncertainties determination. Computers & Chemical Engineering 2018, 119, 371 -382.

AMA Style

Idelfonso B.R. Nogueira, Rui P.V. Faria, Reiner Requião, Hannu Koivisto, Marcio Martins, Alírio E. Rodrigues, José M. Loureiro, Ana M. Ribeiro. Chromatographic studies of n-Propyl Propionate: Adsorption equilibrium, modelling and uncertainties determination. Computers & Chemical Engineering. 2018; 119 ():371-382.

Chicago/Turabian Style

Idelfonso B.R. Nogueira; Rui P.V. Faria; Reiner Requião; Hannu Koivisto; Marcio Martins; Alírio E. Rodrigues; José M. Loureiro; Ana M. Ribeiro. 2018. "Chromatographic studies of n-Propyl Propionate: Adsorption equilibrium, modelling and uncertainties determination." Computers & Chemical Engineering 119, no. : 371-382.

Journal article
Published: 31 May 2018 in Journal of Chromatography A
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The SMB unit developed by the Laboratory of Separation and Reaction Engineering (FlexSMB-LSRE®) was used to perform tartronic acid (TTA) and glyceric acid (GCA) separation and to validate the mathematical model in order to determine the optimum operating parameters of an industrial unit. The purity of the raffinate and extract streams in the experiments performed were 80% and 100%, respectively. The TTA and GCA productivities were 79 and 115 kg per liter of adsorbent per day, respectively and only 0.50 cubic meters of desorbent were required per kilogram of products. Under the optimum operating conditions, which were determined through an extensive simulation study based on the mathematical model developed to predict the performance of a real SMB unit, it was possible to achieve a productivity of 86 kg of TTA and 176 kg of GCA per cubic meter of adsorbent per day (considering the typical commercial purity value of 97% for both compounds) with an eluent consumption of 0.30 cubic meters per kilogram of products.

ACS Style

Lucas C.D. Coelho; Nelson M.L. Filho; Rui P.V. Faria; Alexandre F.P. Ferreira; Ana M. Ribeiro; Alírio E. Rodrigues. Separation of tartronic and glyceric acids by simulated moving bed chromatography. Journal of Chromatography A 2018, 1563, 62 -70.

AMA Style

Lucas C.D. Coelho, Nelson M.L. Filho, Rui P.V. Faria, Alexandre F.P. Ferreira, Ana M. Ribeiro, Alírio E. Rodrigues. Separation of tartronic and glyceric acids by simulated moving bed chromatography. Journal of Chromatography A. 2018; 1563 ():62-70.

Chicago/Turabian Style

Lucas C.D. Coelho; Nelson M.L. Filho; Rui P.V. Faria; Alexandre F.P. Ferreira; Ana M. Ribeiro; Alírio E. Rodrigues. 2018. "Separation of tartronic and glyceric acids by simulated moving bed chromatography." Journal of Chromatography A 1563, no. : 62-70.

Book chapter
Published: 16 May 2018 in Intensification of Biobased Processes
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By simultaneously integrating separation and reaction in a single device, the Simulated Moving Bed Reactor (SMBR) is a paradigmatic representation of the so-called multifunctional reactors, which are one of the most relevant Process Intensification strategies. In this chapter, the complex operating mode of this technology will be addressed in detail, explaining the contribution of all the phenomena occurring throughout the unit. This knowledge will set the basis for the development of effective design methodologies and mathematical models for the optimization and description of the SMBR dynamic behavior of the process. The increasing interest in reactive-separation technologies in bioprocessing has led to the implementation of SMBR processes to produce biodiesel, additives and blending agents such as 1,1-diethoxyethane, 1,1-diethoxybutane and glycerol ethyl acetal. The use of bio-derived reactants, such as ethanol to produce 1,1-diethoxyethane and 1,1-diethoxybutane, and the valorization of glycerol, obtained as a by-product from biodiesel manufacture, through the production of glycerol ethyl acetal, also represents a good approach in terms of the development of more efficient, environmentally-friendly and sustainable processes.

ACS Style

R. P. V. Faria; N. S. Graça; A. E. Rodrigues. CHAPTER 7. Green Fuels and Fuel Additives Production in Simulated Moving Bed Reactors. Intensification of Biobased Processes 2018, 145 -165.

AMA Style

R. P. V. Faria, N. S. Graça, A. E. Rodrigues. CHAPTER 7. Green Fuels and Fuel Additives Production in Simulated Moving Bed Reactors. Intensification of Biobased Processes. 2018; ():145-165.

Chicago/Turabian Style

R. P. V. Faria; N. S. Graça; A. E. Rodrigues. 2018. "CHAPTER 7. Green Fuels and Fuel Additives Production in Simulated Moving Bed Reactors." Intensification of Biobased Processes , no. : 145-165.

Research article
Published: 11 July 2017 in Industrial & Engineering Chemistry Research
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Pervaporation-based hybrid processes have been investigated to overcome the drawbacks of equilibrium-limited reactions. Pervaporation processes are strongly recommended for heat-sensitive products and azeotropic mixtures as in the butyl acrylate system case, since pervaporation can operate at lower temperatures than distillation. In this work, experimental pervaporation data for multicomponent mixtures in the absence of reaction were measured for the compounds involved in the esterification reaction of acrylic acid with n-butanol at different temperatures: 323, 353, and 363 K. A commercial tubular microporous silica membrane from Pervatech was used which is highly selective to water, and its performance was evaluated by studying several parameters, like the selectivity, permeate fluxes, driving force of species, and separation factor. The effects of temperature and feed composition were assessed for binary, ternary, and quaternary mixtures. Increasing the temperature increases significantly the total permeate flux as well as the separation factor, which is higher for quaternary mixtures. The presence of butyl acrylate and acrylic acid reduces the total permeate flux since these molecules hinder the water permeation. The permeance of each species was correlated with temperature according to the Arrhenius equation, and a mathematical model was proposed to develop an integrated reaction–separation process using the experimental data obtained. The reaction conversion of the fixed-bed membrane reactor at steady state achieved 98.7% at isothermal conditions, increasing by 66% the conversion obtained in a fixed-bed reactor (at the same operating conditions).

ACS Style

Dânia S. M. Constantino; Rui P. V. Faria; Ana M. Ribeiro; José M. Loureiro; Alírio E. Rodrigues. Performance Evaluation of Pervaporation Technology for Process Intensification of Butyl Acrylate Synthesis. Industrial & Engineering Chemistry Research 2017, 56, 13064 -13074.

AMA Style

Dânia S. M. Constantino, Rui P. V. Faria, Ana M. Ribeiro, José M. Loureiro, Alírio E. Rodrigues. Performance Evaluation of Pervaporation Technology for Process Intensification of Butyl Acrylate Synthesis. Industrial & Engineering Chemistry Research. 2017; 56 (45):13064-13074.

Chicago/Turabian Style

Dânia S. M. Constantino; Rui P. V. Faria; Ana M. Ribeiro; José M. Loureiro; Alírio E. Rodrigues. 2017. "Performance Evaluation of Pervaporation Technology for Process Intensification of Butyl Acrylate Synthesis." Industrial & Engineering Chemistry Research 56, no. 45: 13064-13074.

Article
Published: 11 April 2017 in Adsorption
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A screening study of the chromatographic separation of Glyceric Acid (GCA) and Tartronic Acid (TTA) was performed using three different polystyrene-divinylbenzene ion-exchange resins in hydrogen form (Dowex® 50WX-8, Dowex® 50WX-4, Dowex® 50WX-2). The experiments were described by the axial dispersion flow model with the LDF approximation incorporated into the software gPROMS. From the three investigated adsorbents differing by the crosslinking, Dowex® 50WX-2 has presented the higher adsorption capacity, as well as the highest bed efficiency expressed by the number of theoretical plates. The adsorption equilibrium constants were determined from single breakthrough experiments, and a very good agreement between experimental and simulated data was achieved for both single components and binary mixtures. Therefore, the fundamental data determined within this work represents a key contribution to the design of continuous chromatographic processes for the purification of GCA and TTA.

ACS Style

Lucas Coelho; Nelson M. L. Filho; Rui P. V. Faria; Ana Ribeiro; Alírio E. Rodrigues. Selection of a stationary phase for the chromatographic separation of organic acids obtained from bioglycerol oxidation. Adsorption 2017, 23, 627 -638.

AMA Style

Lucas Coelho, Nelson M. L. Filho, Rui P. V. Faria, Ana Ribeiro, Alírio E. Rodrigues. Selection of a stationary phase for the chromatographic separation of organic acids obtained from bioglycerol oxidation. Adsorption. 2017; 23 (5):627-638.

Chicago/Turabian Style

Lucas Coelho; Nelson M. L. Filho; Rui P. V. Faria; Ana Ribeiro; Alírio E. Rodrigues. 2017. "Selection of a stationary phase for the chromatographic separation of organic acids obtained from bioglycerol oxidation." Adsorption 23, no. 5: 627-638.