This page has only limited features, please log in for full access.

Prof. Alírio Egídio Rodrigues
University of Porto

Basic Info


Research Keywords & Expertise

0 Modeling and Simulation
0 Reaction Engineering
0 Cyclic adsorption/reaction processes
0 Perfume engineering and Microencapsulation
0 Lignin valorization

Fingerprints

CO2 capture and Utilization
Modeling and Simulation
Reaction Engineering
Cyclic adsorption/reaction processes
Perfume engineering and Microencapsulation
Lignin valorization

Honors and Awards

The user has no records in this section


Career Timeline

The user has no records in this section.


Short Biography

Alírio Rodrigues graduated in Chemical Engineering at the Faculty of Engineering of the U. Porto (FEUP) in 1968. After a training period in Angola at the brewery company CUCA and oil refinery FINA, he joined the Department of Chemical Engineering of U. of Luanda as a teaching assistant. In 1970, he started post-graduate studies at the Centre de Cinétique Physique et Chimique (CNRS) and ENSIC; in 1973 he obtained his Dr-Ing. degree at the U. de Nancy I, France, in the area of ion exchange. He went back to the U. Luanda end of 1973 and return to Portugal end of 1975, joining for a short period the U. of Évora and later in 1976, the Department of Chemical Engineering of FEUP. He created a research group that became the Laboratory of Separation and Reaction Engineering (LSRE). He was the Director of LSRE until 2012. Under his leadership, LSRE created the pole at IPB and obtained the status of Associate Laboratory in partnership with LCM. He was visiting professor at UTC, France, U. Virginia, USA, U. Oviedo, Spain and UFC, Brazil. Since 2013 he has been Emeritus Professor of U. Porto. He supervised more than 60 PhD students during his career and published more than 600 papers in peer-reviewed journals.

Following
Followers
Co Authors
The list of users this user is following is empty.
Following: 0 users

Feed

Journal article
Published: 30 July 2021 in Mathematics
Reads 0
Downloads 0

The present work proposes a novel methodology for an optimization procedure extending the optimal point to an optimal area based on an uncertainty map of deterministic optimization. To do so, this work proposes the deductions of a likelihood-based test to draw confidence regions of population-based optimizations. A novel Constrained Sliding Particle Swarm Optimization algorithm is also proposed that can cope with the optimization procedures characterized by multi-local minima. There are two open issues in the optimization literature, uncertainty analysis of the deterministic optimization and application of meta-heuristic algorithms to solve multi-local minima problems. The proposed methodology was evaluated in a series of five benchmark tests. The results demonstrated that the methodology is able to identify all the local minima and the global one, if any. Moreover, it was able to draw the confidence regions of all minima found by the optimization algorithm, hence, extending the optimal point to an optimal region. Moreover, providing the set of decision variables that can give an optimal value, with statistical confidence. Finally, the methodology is evaluated to address a case study from chemical engineering; the optimization of a complex multifunctional process where separation and reaction are processed simultaneously, a true moving bed reactor. The method was able to efficiently identify the two possible optimal operating regions of this process. Therefore, proving the practical application of this methodology.

ACS Style

Carine Rebello; Márcio Martins; José Loureiro; Alírio Rodrigues; Ana Ribeiro; Idelfonso Nogueira. From an Optimal Point to an Optimal Region: A Novel Methodology for Optimization of Multimodal Constrained Problems and a Novel Constrained Sliding Particle Swarm Optimization Strategy. Mathematics 2021, 9, 1808 .

AMA Style

Carine Rebello, Márcio Martins, José Loureiro, Alírio Rodrigues, Ana Ribeiro, Idelfonso Nogueira. From an Optimal Point to an Optimal Region: A Novel Methodology for Optimization of Multimodal Constrained Problems and a Novel Constrained Sliding Particle Swarm Optimization Strategy. Mathematics. 2021; 9 (15):1808.

Chicago/Turabian Style

Carine Rebello; Márcio Martins; José Loureiro; Alírio Rodrigues; Ana Ribeiro; Idelfonso Nogueira. 2021. "From an Optimal Point to an Optimal Region: A Novel Methodology for Optimization of Multimodal Constrained Problems and a Novel Constrained Sliding Particle Swarm Optimization Strategy." Mathematics 9, no. 15: 1808.

Review
Published: 29 July 2021 in Molecules
Reads 0
Downloads 0

Lignin is the second most abundant component, next to cellulose, in lignocellulosic biomass. Large amounts of this polymer are produced annually in the pulp and paper industries as a coproduct from the cooking process—most of it burned as fuel for energy. Strategies regarding lignin valorization have attracted significant attention over the recent decades due to lignin’s aromatic structure. Oxidative depolymerization allows converting lignin into added-value compounds, as phenolic monomers and/or dicarboxylic acids, which could be an excellent alternative to aromatic petrochemicals. However, the major challenge is to enhance the reactivity and selectivity of the lignin structure towards depolymerization and prevent condensation reactions. This review includes a comprehensive overview of the main contributions of lignin valorization through oxidative depolymerization to produce added-value compounds (vanillin and syringaldehyde) that have been developed over the recent decades in the LSRE group. An evaluation of the valuable products obtained from oxidation in an alkaline medium with oxygen of lignins and liquors from different sources and delignification processes is also provided. A review of C4 dicarboxylic acids obtained from lignin oxidation is also included, emphasizing catalytic conversion by O2 or H2O2 oxidation.

ACS Style

Carina Costa; Carlos Vega-Aguilar; Alírio Rodrigues. Added-Value Chemicals from Lignin Oxidation. Molecules 2021, 26, 4602 .

AMA Style

Carina Costa, Carlos Vega-Aguilar, Alírio Rodrigues. Added-Value Chemicals from Lignin Oxidation. Molecules. 2021; 26 (15):4602.

Chicago/Turabian Style

Carina Costa; Carlos Vega-Aguilar; Alírio Rodrigues. 2021. "Added-Value Chemicals from Lignin Oxidation." Molecules 26, no. 15: 4602.

Journal article
Published: 25 June 2021 in Energies
Reads 0
Downloads 0

Valorization of industrial low-value side-streams are of great interest, contributing to boosts in the circular economy. In this context, lignin side-streams of the pulp and paper industry were oxypropylated to produce biobased polyols and tested in the synthesis of rigid polyurethane (RPU) foams. E. globulus lignins, namely a lignin isolated from an industrial Kraft black liquor and depolymerized lignins obtained as by-products of an oxidation process, were used. RPU foams, synthesized with 100% lignin-based polyols and using a 1.1 NCO/OH ratio, were characterized concerning apparent density, morphology, thermal conductivity, thermal stability, and heat release rate (HRR). Foams containing the lignin-based polyols presented densities varying from 44.7 to 112.2 kg/m3 and thermal conductivity in the range of 37.2–49.0 mW/mK. For the reference foam (sample produced with 100% wt. Daltofoam TP 32015 polyol), values of 70.9 kg/m3 and 41.1 mW/mK were obtained, respectively. The achieved results point out the viability of using the generated lignin-based polyols at 100% content in RPU foams, mainly when depolymerized lignins are used. Moreover, fire retardancy was favored when the lignin-based polyols were introduced. The proposed strategies can contribute to establishing the integrated pulp and paper biorefinery concept where material synthesis (polyols and RPU foams) can be combined with chemical production (vanillin and syringaldehyde).

ACS Style

João Pinto; Isabel Fernandes; Virginia Pinto; Elson Gomes; Cátia Oliveira; Paula C. R. Pinto; Luís Mesquita; Paulo Piloto; Alírio Rodrigues; Maria-Filomena Barreiro. Valorization of Lignin Side-Streams into Polyols and Rigid Polyurethane Foams—A Contribution to the Pulp and Paper Industry Biorefinery. Energies 2021, 14, 3825 .

AMA Style

João Pinto, Isabel Fernandes, Virginia Pinto, Elson Gomes, Cátia Oliveira, Paula C. R. Pinto, Luís Mesquita, Paulo Piloto, Alírio Rodrigues, Maria-Filomena Barreiro. Valorization of Lignin Side-Streams into Polyols and Rigid Polyurethane Foams—A Contribution to the Pulp and Paper Industry Biorefinery. Energies. 2021; 14 (13):3825.

Chicago/Turabian Style

João Pinto; Isabel Fernandes; Virginia Pinto; Elson Gomes; Cátia Oliveira; Paula C. R. Pinto; Luís Mesquita; Paulo Piloto; Alírio Rodrigues; Maria-Filomena Barreiro. 2021. "Valorization of Lignin Side-Streams into Polyols and Rigid Polyurethane Foams—A Contribution to the Pulp and Paper Industry Biorefinery." Energies 14, no. 13: 3825.

Transport phenomena and fluid mechanics
Published: 08 June 2021 in AIChE Journal
Reads 0
Downloads 0

A predictive model based on Fick's second law for radial diffusion is proposed and validated for modeling the diffusion of fragrance materials. A pure component, two binary systems, and a ternary system were used for validation. The model combines the prediction model to represent the liquid phase nonidealities, using the UNIFAC group contribution method, with the Fickian radial diffusion approach. The experimental headspace concentrations were measured in a diffusion chamber using the solid-phase microextraction technique and quantified using gas chromatography with a flame ionization detector. The numerical solutions were obtained along with an analytical model considering constant surface concentration. The odor intensities of the studied systems were calculated using Stevens' power law and the strongest component model, respectively. The numerical simulation presented good adherence to the experimental gas concentration data. The proposed methodology is an efficient and validated tool to assess the radial diffusion of fragrance and volatile systems.

ACS Style

Rafael N. Almeida; Alírio E. Rodrigues; Rubem M. F. Vargas; Eduardo Cassel. Radial diffusion model for fragrance materials: Prediction and validation. AIChE Journal 2021, e17351 .

AMA Style

Rafael N. Almeida, Alírio E. Rodrigues, Rubem M. F. Vargas, Eduardo Cassel. Radial diffusion model for fragrance materials: Prediction and validation. AIChE Journal. 2021; ():e17351.

Chicago/Turabian Style

Rafael N. Almeida; Alírio E. Rodrigues; Rubem M. F. Vargas; Eduardo Cassel. 2021. "Radial diffusion model for fragrance materials: Prediction and validation." AIChE Journal , no. : e17351.

Review
Published: 22 May 2021 in Molecules
Reads 0
Downloads 0

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: 19 May 2021 in Industrial & Engineering Chemistry Research
Reads 0
Downloads 0

Simulated moving bed (SMB) chromatography is a widely used technique for the resolution of compounds difficult to separate. SMB parameter estimation is traditionally carried out following a time and money consuming series of experiments in an SMB unit where deviations may arise. This work aims to present a novel global and straightforward parameter estimation procedure together with uncertainty analysis. Particle swarm optimization (PSO) is employed to search for parameters in an eight-dimensional space, avoid local minima, and enable uncertainty analysis. The proposed methodology is validated in a software-in-the-loop approach. A new parameter estimation is then carried out using the data of one experimental run from the literature, together with uncertainty evaluation based on the PSO-generated population that enables model validation and definition of confidence regions for the model. A robust method for the parameter estimation of an SMB unit is presented in order to produce a more precise and reliable model. In addition, it also significantly reduces the number of necessary steps for parameter estimation, leading to a more efficient procedure. The results show that it is possible to perform parameter estimation from SMB chromatography producing a more trustworthy model.

ACS Style

Rodrigo V. A. Santos; Anderson N. Prudente; Ana M. Ribeiro; Alírio E. Rodrigues; José M. Loureiro; Márcio A. F. Martins; Karen V. Pontes; Idelfonso B. R. Nogueira. Global Approach for Simulated Moving Bed Model Identification: Design of Experiments, Uncertainty Evaluation, and Optimization Strategy Assessment. Industrial & Engineering Chemistry Research 2021, 60, 7904 -7916.

AMA Style

Rodrigo V. A. Santos, Anderson N. Prudente, Ana M. Ribeiro, Alírio E. Rodrigues, José M. Loureiro, Márcio A. F. Martins, Karen V. Pontes, Idelfonso B. R. Nogueira. Global Approach for Simulated Moving Bed Model Identification: Design of Experiments, Uncertainty Evaluation, and Optimization Strategy Assessment. Industrial & Engineering Chemistry Research. 2021; 60 (21):7904-7916.

Chicago/Turabian Style

Rodrigo V. A. Santos; Anderson N. Prudente; Ana M. Ribeiro; Alírio E. Rodrigues; José M. Loureiro; Márcio A. F. Martins; Karen V. Pontes; Idelfonso B. R. Nogueira. 2021. "Global Approach for Simulated Moving Bed Model Identification: Design of Experiments, Uncertainty Evaluation, and Optimization Strategy Assessment." Industrial & Engineering Chemistry Research 60, no. 21: 7904-7916.

Research article
Published: 10 May 2021 in Industrial & Engineering Chemistry Research
Reads 0
Downloads 0

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: 23 April 2021 in Energies
Reads 0
Downloads 0

An essential line of worldwide research towards a sustainable energy future is the materials and processes for carbon dioxide capture and storage. Energy from fossil fuels combustion always generates carbon dioxide, leading to a considerable environmental concern with the values of CO2 produced in the world. The increase in emissions leads to a significant challenge in reducing the quantity of this gas in the atmosphere. Many research areas are involved solving this problem, such as process engineering, materials science, chemistry, waste management, and politics and public engagement. To decrease this problem, green and efficient solutions have been extensively studied, such as Carbon Capture Utilization and Storage (CCUS) processes. In 2015, the Paris Agreement was established, wherein the global temperature increase limit of 1.5 °C above pre-industrial levels was defined as maximum. To achieve this goal, a global balance between anthropogenic emissions and capture of greenhouse gases in the second half of the 21st century is imperative, i.e., net-zero emissions. Several projects and strategies have been implemented in the existing systems and facilities for greenhouse gas reduction, and new processes have been studied. This review starts with the current data of CO2 emissions to understand the need for drastic reduction. After that, the study reviews the recent progress of CCUS facilities and the implementation of climate-positive solutions, such as Bioenergy with Carbon Capture and Storage and Direct Air Capture. Future changes in industrial processes are also discussed.

ACS Style

Maria Regufe; Ana Pereira; Alexandre Ferreira; Ana Ribeiro; Alírio Rodrigues. Current Developments of Carbon Capture Storage and/or Utilization–Looking for Net-Zero Emissions Defined in the Paris Agreement. Energies 2021, 14, 2406 .

AMA Style

Maria Regufe, Ana Pereira, Alexandre Ferreira, Ana Ribeiro, Alírio Rodrigues. Current Developments of Carbon Capture Storage and/or Utilization–Looking for Net-Zero Emissions Defined in the Paris Agreement. Energies. 2021; 14 (9):2406.

Chicago/Turabian Style

Maria Regufe; Ana Pereira; Alexandre Ferreira; Ana Ribeiro; Alírio Rodrigues. 2021. "Current Developments of Carbon Capture Storage and/or Utilization–Looking for Net-Zero Emissions Defined in the Paris Agreement." Energies 14, no. 9: 2406.

Journal article
Published: 22 April 2021 in Computers & Chemical Engineering
Reads 0
Downloads 0

Human civilization has been economically exploring the enjoyable smell of substances for centuries, giving rise to multi-billion-dollar business. Few works have addressed the formulation of perfumes using a systematic approach based on computational techniques. Thus, the objective of the present work is to develop a novel systematic strategy for optimal perfume design. The strategy comprises a deep learning model trained from high-fidelity simulations, an objective function that reflects the desirable spectrum of the perfume, and a meta-heuristic optimization method. It was applied to define the perfume composition that produces an odor spectrum of pine forest and floral while minimizing non-desirable odors. Hence, we propose an objective function to encode the peculiarities of a fragrance design comprising the question: Which perfume composition attains the desirable odor spectrum across time and space? The results demonstrated the methodology value in fragranced product design by offering a framework to handle the formulation problem.

ACS Style

Vinícius V. Santana; Márcio A.F. Martins; José M. Loureiro; Ana M. Ribeiro; Alírio E. Rodrigues; Idelfonso B.R. Nogueira. Optimal fragrances formulation using a deep learning neural network architecture: A novel systematic approach. Computers & Chemical Engineering 2021, 150, 107344 .

AMA Style

Vinícius V. Santana, Márcio A.F. Martins, José M. Loureiro, Ana M. Ribeiro, Alírio E. Rodrigues, Idelfonso B.R. Nogueira. Optimal fragrances formulation using a deep learning neural network architecture: A novel systematic approach. Computers & Chemical Engineering. 2021; 150 ():107344.

Chicago/Turabian Style

Vinícius V. Santana; Márcio A.F. Martins; José M. Loureiro; Ana M. Ribeiro; Alírio E. Rodrigues; Idelfonso B.R. Nogueira. 2021. "Optimal fragrances formulation using a deep learning neural network architecture: A novel systematic approach." Computers & Chemical Engineering 150, no. : 107344.

Review
Published: 21 April 2021 in Sustainable Chemistry
Reads 0
Downloads 0

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
Reads 0
Downloads 0

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.

Chapter
Published: 11 March 2021 in Magnetoelastic Waves
Reads 0
Downloads 0

Adsorption processes have been widely used in the purification of polluted streams and diluted wastewaters. Another interesting aspect of these processes is their ability to concentrate solutes. In conventional fixed bed processes, the treatment involves a saturation step followed by desorption and regeneration steps. However, these processes present low efficiency, since only a fraction of the adsorbent is used. Additionally, the use of chemicals for bed regeneration causes a new problem of waste disposal. The use of a cyclic adsorption process, such as parametric pumping, where the mobile phase percolates through the adsorption bed upwards and downwards alternately, associated with a simultaneous change in a thermodynamic variable (temperature, pressure, pH, etc.), enables the continuous purification of a polluted stream. This operation mode avoids the use of chemical regenerants and allows the recycling of the concentrated stream back to the industrial process.

ACS Style

Nuno S. Graça; Ana M. Ribeiro; Alexandre Ferreira; Alírio E. Rodrigues. Application of Adsorption Processes for the Treatment of Diluted Industrial Effluents. Magnetoelastic Waves 2021, 175 -195.

AMA Style

Nuno S. Graça, Ana M. Ribeiro, Alexandre Ferreira, Alírio E. Rodrigues. Application of Adsorption Processes for the Treatment of Diluted Industrial Effluents. Magnetoelastic Waves. 2021; ():175-195.

Chicago/Turabian Style

Nuno S. Graça; Ana M. Ribeiro; Alexandre Ferreira; Alírio E. Rodrigues. 2021. "Application of Adsorption Processes for the Treatment of Diluted Industrial Effluents." Magnetoelastic Waves , no. : 175-195.

Research article
Published: 04 March 2021 in Industrial & Engineering Chemistry Research
Reads 0
Downloads 0

Big Data Analytics plays a crucial role in Industry 4.0 by offering tools to improve the decision-making process. These tools comprise data management infrastructures and analytical methods. Among the economic sectors, the chemical process industry already holds mature data management structures but poorly explored analytical tools. In this sense, this work proposes an online analytical tool that can deal with Big Data to be used for identifying abnormal operations in chemical processes. It deals with a modified dynamic sensitivity matrix (DSM) and Gram–Schmidt orthogonalization (GSO) to prioritize process variables under abnormal behavior and scaling the impact they have on plant performance. In order to evaluate the effectiveness of the proposed method, the synthesis of n-propyl-propionate in a challenging simulated moving-bed reactor (SMBR) process is the object of this study. Simulations are carried out within a software-in-the-loop mode through the integration between Matlab and gPROMs. The results show that the proposed algorithm correctly prioritized the variables concerning their impact on the process performance during abnormal behavior. The capabilities of the proposed method were tested in two campaigns: considering abnormalities in two and three operating variables, respectively. In both, the method correctly prioritized their correction order based on their impact on the process performance. Finally, a “what-if” scenario shows that choosing the correction order at random leads to abnormal behavior for longer periods of time.

ACS Style

Vinicius V. Santana; Márcio A. F. Martins; Alírio E. Rodrigues; José M. Loureiro; Ana M. Ribeiro; Idelfonso B. R. Nogueira. Abnormal Operation Tracking through Big-Data-Based Gram–Schmidt Orthogonalization: Production of n-Propyl Propionate in a Simulated Moving-Bed Reactor: A Case Study. Industrial & Engineering Chemistry Research 2021, 60, 4060 -4071.

AMA Style

Vinicius V. Santana, Márcio A. F. Martins, Alírio E. Rodrigues, José M. Loureiro, Ana M. Ribeiro, Idelfonso B. R. Nogueira. Abnormal Operation Tracking through Big-Data-Based Gram–Schmidt Orthogonalization: Production of n-Propyl Propionate in a Simulated Moving-Bed Reactor: A Case Study. Industrial & Engineering Chemistry Research. 2021; 60 (10):4060-4071.

Chicago/Turabian Style

Vinicius V. Santana; Márcio A. F. Martins; Alírio E. Rodrigues; José M. Loureiro; Ana M. Ribeiro; Idelfonso B. R. Nogueira. 2021. "Abnormal Operation Tracking through Big-Data-Based Gram–Schmidt Orthogonalization: Production of n-Propyl Propionate in a Simulated Moving-Bed Reactor: A Case Study." Industrial & Engineering Chemistry Research 60, no. 10: 4060-4071.

Journal article
Published: 19 February 2021 in Colloids and Surfaces A: Physicochemical and Engineering Aspects
Reads 0
Downloads 0

Pickering emulsions based on biopolymeric particles are gaining increasing research recognition in numerous applications due to their biocompatibility and eco-friendliness. In this work, chitosan/collagen peptides nanoparticles were applied to stabilize Pickering emulsions for potential cosmetic applications. The nanoparticles had a contact angle of 78.02° ± 2.04°, reflecting their hydrophilic nature. Their average size and zeta potential were 32.27 nm and +59.7 mV, respectively. Confocal laser scanning microscopy (CLSM) showed that the nanoparticles become well-adsorbed at the oil-water interface. The emulsions displayed shear-thinning viscosity and gel-like texture. Their average droplet size ranged between 7.63 μm and 15.72 μm. CLSM skin tracking of the nanoparticles, after ex vivo skin application of the Pickering emulsions, revealed the ability of the emulsion droplets to penetrate the stratum corneum and deposit in deeper skin layers. The penetration degree depends on the concentration of the nanoparticles in the emulsion and on the contact time with the skin. These results provide new insights into the fate of the nanoparticles used to stabilize Pickering emulsions following their skin application.

ACS Style

Asma Sharkawy; Maria Filomena Barreiro; Alírio E. Rodrigues. New Pickering emulsions stabilized with chitosan/collagen peptides nanoparticles: Synthesis, characterization and tracking of the nanoparticles after skin application. Colloids and Surfaces A: Physicochemical and Engineering Aspects 2021, 616, 126327 .

AMA Style

Asma Sharkawy, Maria Filomena Barreiro, Alírio E. Rodrigues. New Pickering emulsions stabilized with chitosan/collagen peptides nanoparticles: Synthesis, characterization and tracking of the nanoparticles after skin application. Colloids and Surfaces A: Physicochemical and Engineering Aspects. 2021; 616 ():126327.

Chicago/Turabian Style

Asma Sharkawy; Maria Filomena Barreiro; Alírio E. Rodrigues. 2021. "New Pickering emulsions stabilized with chitosan/collagen peptides nanoparticles: Synthesis, characterization and tracking of the nanoparticles after skin application." Colloids and Surfaces A: Physicochemical and Engineering Aspects 616, no. : 126327.

Journal article
Published: 20 January 2021 in Processes
Reads 0
Downloads 0

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.

Research article
Published: 18 January 2021 in Industrial & Engineering Chemistry Research
Reads 0
Downloads 0

Lignin depolymerization through peroxide oxidation produces dicarboxylic acids (DCA), especially C4-DCA, like succinic acid. In this work, the effect of methoxy substituents on C4-DCA production using peroxide oxidation of lignin model compounds (p-hydroxybenzoic acid, vanillic acid, and syringic acid) and hardwood and softwood lignin samples was studied. It was concluded that methoxy substituents increased the reactivity toward peroxide oxidation. The succinic acid yield was higher for the model compounds with fewer methoxy groups, achieving 5.8 wt % of succinic acid for p-hydroxybenzoic acid. For Eucalyptus globulus kraft lignin (hardwood lignin with guaiacyl and syringyl units), an increased reactivity was verified, and more succinic acid (3.5 wt %) was produced in a shorter time, comparatively with Indulin AT lignin (softwood lignin, with only guaiacyl units), which produced 2.7 wt %. This evidence suggests that E. globulus kraft lignin might be a better raw material than Indulin AT for succinic acid production by peroxide oxidation.

ACS Style

Carlos A. Vega-Aguilar; M. Filomena Barreiro; Alírio E. Rodrigues. Effect of Methoxy Substituents on Wet Peroxide Oxidation of Lignin and Lignin Model Compounds: Understanding the Pathway to C4 Dicarboxylic Acids. Industrial & Engineering Chemistry Research 2021, 60, 3543 -3553.

AMA Style

Carlos A. Vega-Aguilar, M. Filomena Barreiro, Alírio E. Rodrigues. Effect of Methoxy Substituents on Wet Peroxide Oxidation of Lignin and Lignin Model Compounds: Understanding the Pathway to C4 Dicarboxylic Acids. Industrial & Engineering Chemistry Research. 2021; 60 (9):3543-3553.

Chicago/Turabian Style

Carlos A. Vega-Aguilar; M. Filomena Barreiro; Alírio E. Rodrigues. 2021. "Effect of Methoxy Substituents on Wet Peroxide Oxidation of Lignin and Lignin Model Compounds: Understanding the Pathway to C4 Dicarboxylic Acids." Industrial & Engineering Chemistry Research 60, no. 9: 3543-3553.

Chapter
Published: 11 October 2020 in Structure and Bonding
Reads 0
Downloads 0

Different synthetic zeolites can be obtained by varying the composition, porosity, and active centers, making them of great interest in industry, especially as adsorbents in gas separation and purification processes. On the other hand, adsorption separation processes are increasingly common in industrial applications due to the technical and economic advantages of this technology. In this context, zeolites have emerged as promising candidates for these processes due to their high temperature stability, resistance to harsh environments combined with unique molecular sieve characteristics, ion exchange, and selective adsorption. In this chapter, we will focus on two cases, paraffin/olefin separation (ethane/ethylene and propane/propylene) and carbon dioxide/methane separation. Some innovative alternatives to replace conventional distillation have emerged for paraffin/olefin separation, with emphasis on simulated moving bed (SMB) technology. A wide variety of zeolites has been studied for this process, such as zeolites 13X, 4A, and 5A. The second case study is the removal of carbon dioxide (CO2) from natural gas stream. Adsorption processes are considered a competitive solution, once the adsorbent can be regenerated either by TSA or PSA. Concerning the use of zeolites for CO2 removal, natural chabazite, zeolite 4A, H-mordenite, and zeolite 13X are the ones with more available information in literature. In this review, we will focus on the strategy and importance of the lab/pilot scale with perspectives of scaling up adsorptive gas-phase separations using zeolites. The main methods adopted in lab/pilot scale studies include adsorbent characterization, adsorption equilibrium, adsorption dynamic studies, and process simulation and optimization.

ACS Style

Vanessa F. D. Martins; Ana M. Ribeiro; Alexandre F. P. Ferreira; Alírio E. Rodrigues. Perspectives of Scaling Up the Use of Zeolites for Selective Separations from Lab to Industry. Structure and Bonding 2020, 145 -194.

AMA Style

Vanessa F. D. Martins, Ana M. Ribeiro, Alexandre F. P. Ferreira, Alírio E. Rodrigues. Perspectives of Scaling Up the Use of Zeolites for Selective Separations from Lab to Industry. Structure and Bonding. 2020; ():145-194.

Chicago/Turabian Style

Vanessa F. D. Martins; Ana M. Ribeiro; Alexandre F. P. Ferreira; Alírio E. Rodrigues. 2020. "Perspectives of Scaling Up the Use of Zeolites for Selective Separations from Lab to Industry." Structure and Bonding , no. : 145-194.

Editorial
Published: 09 October 2020 in Processes
Reads 0
Downloads 0

According to energy crisis and environmental concerns, hydrogen has been driven to become one of the most promising alternative energy carriers for power generation and high valued chemical products. To meet the requirements of global energy demand, which continuously increase each year, efficient technologies to produce hydrogen are therefore necessary. This Special Issue on “Hydrogen Production Technologies” covers outstanding researches and technologies to produce hydrogen of which their objectives are to improve process performances. Both theoretical and experimental investigations were conducted for the investigation of parametric effects in terms of technical and/or economical aspects for different routes of hydrogen production technologies, including thermochemical, electrochemical, and biological. In addition, techniques used to storage and utilize hydrogen were also demonstrated.

ACS Style

Suttichai Assabumrungrat; Suwimol Wongsakulphasatch; Pattaraporn Lohsoontorn Kim; Alírio E. Rodrigues. Special Issue on “Hydrogen Production Technologies”. Processes 2020, 8, 1268 .

AMA Style

Suttichai Assabumrungrat, Suwimol Wongsakulphasatch, Pattaraporn Lohsoontorn Kim, Alírio E. Rodrigues. Special Issue on “Hydrogen Production Technologies”. Processes. 2020; 8 (10):1268.

Chicago/Turabian Style

Suttichai Assabumrungrat; Suwimol Wongsakulphasatch; Pattaraporn Lohsoontorn Kim; Alírio E. Rodrigues. 2020. "Special Issue on “Hydrogen Production Technologies”." Processes 8, no. 10: 1268.

Review article
Published: 04 October 2020 in Chemical Engineering Science
Reads 0
Downloads 0

Residence Time Distribution (RTD) theory is revisited and tracer technology discussed. The background of RTD following Danckwerts ideas is presented by introducing “distribution” functions for residence time, internal age and intensity function and how to experimentally obtain them with tracer techniques (curves C and F of Danckwerts). Compartment models to describe fluid flow in real reactors are reviewed and progressive modeling of chromatographic processes discussed in some detail. The shortcomings of Standard Dispersion Model (SDM) are addressed, the Taylor-Aris model discussed and the Wave Model of Westerterp’s group introduced. The contribution of Computational Fluid Dynamics (CFD) is highlighted to calculate RTD from momentum and mass transport equations and to access spatial age distribution and degree of mixing. Finally smart RTD and future challenges are discussed.

ACS Style

Alírio E. Rodrigues. Residence time distribution (RTD) revisited. Chemical Engineering Science 2020, 230, 116188 -116188.

AMA Style

Alírio E. Rodrigues. Residence time distribution (RTD) revisited. Chemical Engineering Science. 2020; 230 ():116188-116188.

Chicago/Turabian Style

Alírio E. Rodrigues. 2020. "Residence time distribution (RTD) revisited." Chemical Engineering Science 230, no. : 116188-116188.

Research article
Published: 16 September 2020 in Industrial & Engineering Chemistry Research
Reads 0
Downloads 0

A meso-structured NETmix reactor was adapted to develop a continuous process to produce microcapsules, focusing on the steps commonly used in the batch formulation: the emulsion and the cure. Microcapsules were formed through a polycondensation process by coating miglyol, a skin hydrating emollient, with a melamine-formaldehyde, which is a resistant shell material with surface smoothness. Different recirculation times were tested for the cure step. Microcapsules show a spherical shape and a smooth membrane. Efficiencies of encapsulation of 75%, core contents of 70% and diameters around 20 µm, ideal range for textile impregnation, were obtained. Scanning Electron Microscopy (SEM) shows the integrity of microcapsules on textiles after impregnation and their flexible behavior. The thermogravimetric analysis confirmed the thermal stability of microcapsules up to 210 ºC. With the NETmix reactor, it is possible to reduce the cure time of traditional batch formulation in 80%, producing microcapsules with similar characteristics in a continuous process.

ACS Style

Ana C. G. Moreira; Yaidelin A. Manrique; Isabel M. Martins; Isabel P. Fernandes; Alirio Egidio Rodrigues; Jose Carlos Lopes; Madalena M. Dias. Continuous Production of Melamine-Formaldehyde Microcapsules Using a Mesostructured Reactor. Industrial & Engineering Chemistry Research 2020, 59, 18510 -18519.

AMA Style

Ana C. G. Moreira, Yaidelin A. Manrique, Isabel M. Martins, Isabel P. Fernandes, Alirio Egidio Rodrigues, Jose Carlos Lopes, Madalena M. Dias. Continuous Production of Melamine-Formaldehyde Microcapsules Using a Mesostructured Reactor. Industrial & Engineering Chemistry Research. 2020; 59 (41):18510-18519.

Chicago/Turabian Style

Ana C. G. Moreira; Yaidelin A. Manrique; Isabel M. Martins; Isabel P. Fernandes; Alirio Egidio Rodrigues; Jose Carlos Lopes; Madalena M. Dias. 2020. "Continuous Production of Melamine-Formaldehyde Microcapsules Using a Mesostructured Reactor." Industrial & Engineering Chemistry Research 59, no. 41: 18510-18519.