CFD Modelling of Coupled Multiphysics-Multiscale Engineering Cases

Many of the engineering problems have multiphysics and multiscale nature. Non-isothermal flows, stirred reactors, turbulent mixing and membrane filtration, are prevalent cases in which the coupling of several physics phenomena is required for the adequate prediction of overall behaviors. Also, a multiscale analysis, where the same phenomenon is analyzed at different scales, can lead to better understanding of the phenomena, which can be used in optimization and to provide adequate scale-up methodologies. Studies incorporating both multiscale and multiphysics analysis are rarely addressed in literature; in fact, these kinds of problems will be the research challenge in the next years. Computer fluid dynamics (CFD) techniques have shown to be promising to deal with these kinds of systems. In this chapter, these are used to implement a multiscale analysis of the hydrodesulphurization (HDS) process for light gas-oil (LGO). The aforementioned is carried out by the analysis of mass an energy transport at: (1) microporous (MP) scale, (2) pseudo-homogeneous catalyst (PHC) scale, and by analysis of (3) momentum and mass transport at reactor scale (RS). In addition, a particular discussion is made regarding the proper establishment of the model, its validation, the use of different boundary conditions, its justification; and the dependence of solutions of parameters and initial and boundary conditions

Photo-Oxidation of Glycerol Catalyzed by Cu/TiO2

In the present study, glycerol was oxidized by photocatalysis to glyceraldehyde, formaldehyde, and formic acid. Copper-doped TiO2 was synthesized by the evaporation-induced self-assembly approach and it was used as catalyst during the glycerol photo-oxidation reactions. The prepared mesoporous material exhibited high specific surface area (242 m2/g) and band gap energy reduction of 2.55 eV compared to pure titania (3.2 eV) by the synthesis method due to the presence of copper cations (Cu2+ identified by XPS). The catalyst showed only anatase crystalline phase with nanocrystals around 8 nm and irregular agglomerates below 100  m. The selectivity and formation rate of the products were favored towards formaldehyde and glyceraldehyde. The variables studied were catalyst amount, reaction temperature, and initial glycerol concentration. The response surface analysis was used to evaluate the effect of the variables on the product’s concentration. A higher selectivity towards formaldehyde was observed when visible light was used as the radiation source. This study is useful to evaluate the best reaction conditions towards value-added products during the oxidation of glycerol by photocatalysis using Cu/TiO2.COMECYT–Mexico (CAT2021-0032) UAEMex (6518/2022CIB

Electro-oxidation of 2-chlorophenol with BDD electrodes in a continuous flow electrochemical reactor

Es un artículo científico publicado en una revista indizada en JCRSynthetic solutions of 2-chlorophenol (2-CP, 1 mM) were treated in an undivided continuous flow electrochemical reactor equipped with boron-doped diamond (BDD) electrodes. The process was conducted at different current densities (j = 0.10, 0.125, and 0.14 A cm−2), initial pH (4.0, 7.3, and 9.0), and volumetric flow rate (Q = 0.5, 1.0, and 1.5 L min−1). The results of this study showed that the best operational conditions were: j = 0.14 A cm−2, pH = 7.3, and y Q = 1 L min−1. Under these operational conditions the degradation and mineralization of 2-CP were, 100% and 96%, respectively, after 6 h of electrolysis time. The by-products were identified by UHPLC. Also, it was found that the electrochemical degradation of 2-chlorophenol follows a pseudo-first order kinetics. Furthermore, these results demonstrate that the electrolysis process employed in this work allows high percentages (96%) of mineralization of 2-CP, a relative low treatment cost ($ 3 MXN/ 2.5 L of synthetic solution), and that the process is applicable to remediate wastewater.CONACYT 269093 PRODEP 103/14/1135

DYNAMIC SYSTEM ANALYSIS WITH pplane8.m (MATLAB® toolbox)

In this work, four dynamic systems were analyzed (physical, chemical, ecological and economical), represented by autonomous systems of two ordinary differential equations. Main objective is proving that pplane8.m is an adequate and efficient computer tool. The analysis of autonomous systems was given by characterization of their critical points according to Coughanowr & LeBlanc (2009), with the MATLAB® toolbox pplane8.m. The main results are that pplane8.m (Polking, 2009) can quickly and precisely draw trajectories of each phase plane, it easily computes each critical point, and correctly characterize each equilibrium point of all autonomous studied systems. Finally, we can say that pplane8.m is a powerful tool to help the teaching-learning process for engineering students

Análisis de sistemas dinámicos con pplane8.m (MATLAB® toolbox)

In this work, four dynamic systems were analyzed (physical, chemical, ecological and economical), represented by autonomous systems of two ordinary differential equations. Main objective is proving that pplane8.m is an adequate and efficient computer tool. The analysis of autonomous systems was given by characterization of their critical points according to Coughanowr & LeBlanc (2009), with the MATLAB® toolbox pplane8.m. The main results are that pplane8.m (Polking, 2009) can quickly and precisely draw trajectories of each phase plane, it easily computes each critical point, and correctly characterize each equilibrium point of all autonomous studied systems. Finally, we can say that pplane8.m is a powerful tool to help the teaching-learning process for engineering students.En este trabajo se analizaron cuatro sistemas dinámicos (físico, químico, ecológico y económico), los cuales son representados por sistemas autónomos de dos ecuaciones diferenciales ordinarias. El objetivo principal es demostrar que pplane8.m es una herramienta computacional adecuada y eficiente. El análisis de los sistemas autónomos se llevó a cabo con base en la caracterización de sus puntos críticos de acuerdo a lo citado por Coughanowr & LeBlanc (2009) y con ayuda de pplane8.m (MATLAB® toolbox). Los principales resultados de este trabajo son que, pplane8.m (Polking, 2009) dibuja rápida y precisamente las trayectorias de todos los planos de fases, calcula con facilidad todos los puntos críticos y caracteriza correctamente cada uno de los puntos de equilibrio de los sistemas autónomos estudiados. Finalmente se puede decir que pplane8.m es una herramienta poderosa para ayudar en el proceso de enseñanza aprendizaje para estudiantes de un programa de ingeniería

Degradación electroquímica de fenol: Simulación numérica y control con estructuras básicas de control

In this paper is used a PI control feedback to improve the dynamic performance of an electrochemical reactor of stirring tank (RECTA) that degrades phenol. This was done to improve the quality of wastewater in accordance with Mexican regulations (CDQO=200mgL-1per day). In the designer of control law, the variable of control is the DQO concentration and the manipulated variable is the rate of dissolution. The main result is that control law is robust to reach the requested reference (CDQO, set-point=83.92mgL-1). This perfectly regulates DQO concentration; however the settling time of the reactor is greater than open loopEn este trabajo se propone un control PI feedback para mejorar el desempeño de la dinámica de un reactor electroquímico de tanque agitado (RECTA) que degrada fenol. Esto con la finalidad de mejorar la calidad de aguas residuales de acuerdo a la normatividad mexicana (CDQO = 200 mg L-1 por día). La ley de control tiene como variable de control a la concentración de DQO, mientras que la variable manipulada es la tasa de disolución. El principal resultado es que la ley de control implementada es robusta al llegar a la referencia pedida(CDQO, set-point = 83.92 mg L-1). Es decir, regula perfectamente la concentración de DQO, sin embargo el tiempo de asentamiento del reactor es mayor que a lazo abierto

Risk of COVID-19 after natural infection or vaccinationResearch in context

Background: While vaccines have established utility against COVID-19, phase 3 efficacy studies have generally not comprehensively evaluated protection provided by previous infection or hybrid immunity (previous infection plus vaccination). Individual patient data from US government-supported harmonized vaccine trials provide an unprecedented sample population to address this issue. We characterized the protective efficacy of previous SARS-CoV-2 infection and hybrid immunity against COVID-19 early in the pandemic over three-to six-month follow-up and compared with vaccine-associated protection. Methods: In this post-hoc cross-protocol analysis of the Moderna, AstraZeneca, Janssen, and Novavax COVID-19 vaccine clinical trials, we allocated participants into four groups based on previous-infection status at enrolment and treatment: no previous infection/placebo; previous infection/placebo; no previous infection/vaccine; and previous infection/vaccine. The main outcome was RT-PCR-confirmed COVID-19 >7–15 days (per original protocols) after final study injection. We calculated crude and adjusted efficacy measures. Findings: Previous infection/placebo participants had a 92% decreased risk of future COVID-19 compared to no previous infection/placebo participants (overall hazard ratio [HR] ratio: 0.08; 95% CI: 0.05–0.13). Among single-dose Janssen participants, hybrid immunity conferred greater protection than vaccine alone (HR: 0.03; 95% CI: 0.01–0.10). Too few infections were observed to draw statistical inferences comparing hybrid immunity to vaccine alone for other trials. Vaccination, previous infection, and hybrid immunity all provided near-complete protection against severe disease. Interpretation: Previous infection, any hybrid immunity, and two-dose vaccination all provided substantial protection against symptomatic and severe COVID-19 through the early Delta period. Thus, as a surrogate for natural infection, vaccination remains the safest approach to protection. Funding: National Institutes of Health