Mass Transport Research Articles

Experimental and numerical studies on moisture adsorption/desorption characteristics across the circular fin tube desiccant coated heat exchanger

To improve the energy transfer abilities, enhance the quality of air, and curtail the growth of microorganisms, the desiccant coated heat exchangers are a capable substitute compared to conventional heat exchangers due to their capability of decoupling the sensible and latent loads and utilizing low-grade thermal energy. The concept of desiccant coated heat exchangers (DCHE) can be employed in various heat exchange/transport systems like heat pumps, atmospheric water harvesters, adsorption chillers, and air conditioners. Thus, in this research work, a circular fin tube desiccant coated heat exchanger (DCCHE) has been proposed and designed and a dynamic numerical model is established for simulating the combined heat and mass transport occurring across the adsorption/desorption process of a DCCHE employing finite element approach. The moisture and temperature distribution and flow of fluid are considered in the transient numerical model covering several domains such as water flow, air flow, and the coated desiccant. The desiccant material utilized in the current analysis is silica gel. The validation study showed good agreement, and the maximum error between the experimental result and simulated model for the humidity ratio of air and temperature of outlet air were observed to be ± 8 % and ± 7 %, respectively. A parametric analysis is carried out to assess the effect of varying the different input parameters on DCCHE’s performance. The field emission scanning electron microscopy results concluded that a uniform coating is formed on the circular fin surface. The experimental examination on the sorption kinetics of the silica gel showed that the moisture uptake capability was 0.34 g/g. Moreover, the proposed circular fin tube desiccant coated heat exchanger has been compared with the conventional plate type fin tube DCHE to assess its performance in terms of thermal coefficient of performance and specific dehumidification energy.

Revealing Mass Transport Mechanisms and Pathways across Materials Using Isotopic Tracers and Atom Probe Tomography

Revealing Mass Transport Mechanisms and Pathways across Materials Using Isotopic Tracers and Atom Probe Tomography

Implementing the predictor-corrector approach to examine the thermo-solutal convection for buongiorno eyring-powell nanofluid model with squeezed microcantilivier surface

The Buongiorno nanofluid model serves as a foundational model for theoretical and experimental research in the field of nanofluids, and this model can be applied to various engineering problems, including heat exchangers, biomedical applications, solar collectors, nuclear reactors, and different cooling systems in the automotive and electronics industries. The use of nanofluids in the Eyring-Powell fluid over a squeezed sensing surfaces is a vital area of research for the design and improvement of microfluidic devices and sensors, which find widespread usage in industrial and medical applications. The main purpose of this work is to note the augmentation in thermal conductivity by using the Buongiorno nanofluid model along with the natural convective flow of non-Newtonian Eyring-Powell fluid that is moving on the squeezed sensory surface along with slip velocity. The viscosity of a fluid is assumed to be dependent on temperature. The Cattaneo-Christov heat and mass flux and chemical reaction are assumed to determine the combined effect of heat and mass transport. The governing model of equations is in the form of dimensional partial differential equations, and we have to convert these equations into ordinary differential equations; therefore, a set of similarity transformations is adopted for making the equations into dimensionless form. The numerical results were obtained by adopting the predictor and corrector multistep method, namely the ‘Adams-Bashforth’ technique, in Matlab software. The use of natural convective flow enhances the velocity region. The velocity slip parameter increases the velocity of the fluid, whereas the viscosity parameter drops the velocity profile. The thermophoresis and Brownian motion parameters are the sources of the increment in the temperature region. The thermal relaxation and solutal relaxation parameters are the sources of decline in the temperature region. The squeezing parameter is the source of reduction in the skin friction, whereas the result indicates that the fluid parameter, Grashof number, and viscosity coefficients increase the skin friction.

Significance of variable thermal conductivity and suction/injection in unsteady MHD mixed convection flow of Casson Williamson nanofluid through heat and mass transport with gyrotactic microorganisms

AbstractThe present paper explores a two‐dimensional mixed bio‐convective unsteady viscous hydro‐magnetic Casson Williamson nanofluid flow model with heat and mass transport incorporating motile microorganisms towards a stretchy spinning disc. The flow concept is accomplished by rotating a stretched disc with a time‐varying angular velocity. By applying a magnetic field normal to the axial direction, a magnetic interaction is taken into consideration. The Casson Williamson nanofluid contains nanosized particles suspended with swimming motile microorganisms and the rotation of the disc is exhibited by buoyancy forces, thermophoresis, suction/injection, zero mass flux conditions, variable thermal conductivity, Joule heating and so forth. The obtained flow narrating differential equations of the model are transformed into ordinary differential system. This is accomplished by simulating boundary value problems using the shooting technique using the ‘ND‐Solve’ approach included in the Mathematica software (Mathematica 12). The implications of the engaged parameters such as Williamson fluid parameter, Casson fluid (CF) parameter, thermophoresis parameter, Brownian motion parameter and so forth, on both axial and radial velocities, temperature, concentration of nanoparticles and microorganisms are explained by means of graphical and tabular constructions. This paper's validity has been confirmed and its findings align with those of other previously published papers. Furthermore, it is found that both the axial and radial velocity profiles are seen to be diminishing functions of the CF parameter. The identified observation may have theoretical implications for a number of engineering procedures, solar energy systems, biofuel cells and extrusion system improvement. Moreover, this work finds application in micro‐fabrication techniques and the chemical industry.

Caravanas in Tijuana: A Qualitative Account of Women in the 2018 Central American Migrant Caravans

Social conditions force migrants to pursue mass mobilization and transit through Latin America to the Mexico-United States border. Mainstream media continues to sensationalize the migrant caravans. Research concerning the experiences of individuals in caravans remains underdeveloped. A question remains about how women experience transit in a mass caravan migration. This study uses a migrant feminist standpoint to capture women's perspectives within the 2018 Central American migrant caravans. In 2019, a qualitative analysis of 15 semi-structured interviews with migrant participants primarily from Central America and fieldwork observation was conducted in Tijuana, Baja California, Mexico. Caravans provide a realistic alternative avenue for migration. Migration is a gendered process where women resist state violence. Reaching the Tijuana border is a success, but it comes at a detrimental cost for women, including experiencing deception, social class inequalities, and distrust. Humanitarian responses to the migrant caravans benefit from adopting a gender-conscious action-based practice.

Exploration of linear and exponential heat source/sink with the significance of thermophoretic particle deposition on ZnO-SAE50 nano lubricant flow past a curved surface

The present research focuses on exploring the impact of linear and exponential heat source/sink on double-diffusive MHD convective flow heat and mass transport of ZnO – SAE50 nano lubricants in an exponentially stretching curved sheet along with the effect of thermophoretic particle deposition. The heat transmission is considered to be caused by both radiation and convection. The mathematical modelling of the considered problem results in a coupled system of partial differential equations, using suitable similarity transformation variables these equations are reduced to a coupled non-linear system of ordinary differential equations and are solved numerically by adopting the finite difference method to obtain the solution for the field variables. The quantity and spatial distribution of linear heat sources/sinks affect the physical dynamics and optimum status of the entire system and the application of exponential heat sources/sinks can improve heat dispersion and energy efficiency in industrial operations such as nuclear reactors and steel production. The thermophoretic particle deposition parameter controls particle concentration by allowing particles to accumulate on surfaces or in specific areas of the fluid. A rise in Hartmann number causes a mechanical damping force to act in the opposite direction of the fluid motion, lowering the speed of the fluid in the curved sheet. The heat and mass transmission properties are analyzed through the Levenberg – Marquardt backpropagating algorithm and the correlation coefficient has ideal values of unity for training, validation, testing, and overall. In light of this, the anticipated behaviour of the LMNN-BPA indicated that the heat transfer profile numerical data and the network output are in good consensus.

Approaching Theoretical Capacity: 0D/2D Amorphous/Crystalline Bi‐Based Heterostructures Anode for Aqueous Alkaline Rechargeable Batteries

AbstractAlthough various bismuth (Bi) electrode materials are reported to assemble aqueous alkaline rechargeable batteries (AARBs) owing to desirable potential window and high theoretical capacity, the Bi‐based electrode materials are still confronted with by their “death space” and poor stability. Herein, a zero‐dimensional/two‐dimensional (0D/2D) amorphous/crystalline BiOx‐Bi heterostructure is successfully synthesized by a one‐step reduction method for achieving nearly theoretical capacity. Under proper NaBHNaBH4 content, the Bi33+ is reduced to form ultra‐thin 2D metallic bismuth nanoflakes (Bi‐nf), and incompletely reduced amorphous 0D BiOx nanodots are embedded in Bi‐nf to form the target BiOx/Bi‐nf heterostructure. The embedded 0D nanodots inhibit the aggregation of 2D Bi‐nf, accelerate the mass transport rate with more oxygen vacancies and pores at heterogeneous interface, and the active centers of amorphous nanodots and ultrathin nanoflakes are recognized as completely accessible which is benefit for up to theoretical capacity. Accordingly, the optimized 0D/2D amorphous/crystalline BiOx‐Bi‐nf heterostructure electrode presents an admirable capacity of 350 mAh g−1 at 1 A g−1 and outstanding capacity retention of 79.9% at 20 A g‐1. Moreover, the assembled BCNP (basic cobalt/nickel phosphate)//BiOx/Bi‐nf battery exhibits exceptional energy density of 191.64 Wh kg‐1 at 1.28 kW kg‐1 power density and durable stability (80% after 14000 cycles).

Analisis Kelayakan Tarif Bus Trans Koetaradja Berdasarkan Ability To Pay (ATP) Koridor 2A Pusat Kota-Blang Bintang

Since in 2018, Trans Koetaradja Urban Mass Transit is expected to provide maximum service to the community as users. Corridor 2A with the route Masjid Raya Baiturrahman-Lambaro-Blang Bintang. For now, the government applies full subsidies for bus users, meaning that bus users can ride this bus without paying. However, this condition will certainly not last forever. Calculation of the feasibility of bus fare based on Ability to pay is done to see the ability of this bus user to pay the bus fare. This study uses a Quantitative Descriptive Research Method through Survey Techniques involving 392 respondents to bus users given a survey form containing questions regarding: frequency of bus use, average monthly income and expenses and expenses to pay for transportation Respondents were selected based on activities, which were divided into 7 categories based on occupation, including: Students, Self-employed, Workers, Civil Servants, Non-workers and Housewives. The results of the questionnaire were then tabulated and calculated to see the distribution of ATP rates by considering income, percentage of expenditure on transportation and frequency of use. From the research results, the percentage of gender is 57% female and 43% male. The average frequency of use of the bus in 1 week is 4 times the transportation costs obtained range between Rp. 10,000 and Rp. 200,000 The average ATP value is Rp. 2,400.

Dynamics of the Boundary Layer in Pulsed CO2 Electrolysis

AbstractElectrochemical reduction of CO2 poses a vast potential to contribute to a defossilized industry. Despite tremendous developments within the field, mass transport limitations, carbonate salt formation, and electrode degradation mechanisms still hamper the process performance. One promising approach to tweak CO2 electrolysis beyond today's limitations is pulsed electrolysis with potential cycling between an operating and a regeneration mode. Here, we rigorously model the boundary layer at a silver electrode in pulsed operation to get profound insights into the dynamic reorganization of the electrode microenvironment. In our simulation, pulsed electrolysis leads to a significant improvement of up to six times higher CO current density and 20 times higher cathodic energy efficiency when pulsing between −1.85 and −1.05 V vs SHE compared to constant potential operation. We found that elevated reactant availability in pulsed electrolysis originates from alternating replenishment of CO2 by diffusion and not from pH‐induced carbonate and bicarbonate conversion. Moreover, pulsed electrolysis substantially promotes carbonate removal from the electrode by up to 83 % compared to constant potential operation, thus reducing the risk of salt formation. Therefore, this model lays the groundwork for an accurate simulation of the dynamic boundary layer modulation, which can provide insights into manifold electrochemical conversions.

Implementation of a Drift Flux Model into SAM with Development of a Verification and Validation Test Suite for Modeling of Noncondensable Gas Mixtures

The advanced thermal-hydraulic system code, System Analysis Module (SAM), was originally developed for the modeling of single-phase flow in advanced reactors. It has since been expanded to include a four-equation drift flux model for the modeling of two-phase flows containing a noncondensable gas. The model was expanded to support the modeling of molten salt reactor (MSR) designs in which the fuel is directly dissolved in the circulating coolant. These designs have shown that circulating gas bubbles can play an important role in the management of fission products and the operational behavior of the reactor. A drift flux model was implemented to more accurately capture the localized behavior of the void in the core and its impact on the mass transfer of fission products. A thorough assessment of the new model was performed by developing a verification and validation test suite. Verification problems were designed to test all major terms in the new governing equations. The new model converged to the correct solution at the expected order of accuracy for all verification cases. The validation cases included a wide range of flow and void conditions in different pipe geometries. Although higher void experiments show a slight underprediction of void by the drift flux model, experiments that aim to reproduce Molten Salt Reactor Experiment (MSRE) experimental conditions show good agreement with the model. The gas transport model was activated for a SAM model of the MSRE to demonstrate that it can be used in a more complex model. This gas transport model will be used along with an interfacial area transport equation being implemented in SAM for the prediction of mass transport behavior in MSR conditions.

Hierarchical Modeling of the Local Reaction Environment in Electrocatalysis.

ConspectusElectrocatalytic reactions, such as oxygen reduction/evolution reactions and CO2 reduction reaction that are pivotal for the energy transition, are multistep processes that occur in a nanoscale electric double layer (EDL) at a solid-liquid interface. Conventional analyses based on the Sabatier principle, using binding energies or effective electronic structure properties such as the d-band center as descriptors, are able to grasp overall trends in catalytic activity in specific groups of catalysts. However, thermodynamic approaches often fail to account for electrolyte effects that arise in the EDL, including pH, cation, and anion effects. These effects exert strong impacts on electrocatalytic reactions. There is growing consensus that the local reaction environment (LRE) prevailing in the EDL is the key to deciphering these complex and hitherto perplexing electrolyte effects. Increasing attention is thus paid to designing electrolyte properties, positioning the LRE at center stage. To this end, unraveling the LRE is becoming essential for designing electrocatalysts with specifically tailored properties, which could enable much needed breakthroughs in electrochemical energy science.Theory and modeling are getting more and more important and powerful in addressing this multifaceted problem that involves physical phenomena at different scales and interacting in a multidimensional parametric space. Theoretical models developed for this purpose should treat intrinsic multistep kinetics of electrocatalytic reactions, EDL effects from subnm scale to the scale of 10 nm, and mass transport phenomena bridging scales from <0.1 to 100 μm. Given the diverse physical phenomena and scales involved, it is evident that the challenge at hand surpasses the capabilities of any single theoretical or computational approach.In this Account, we present a hierarchical theoretical framework to address the above challenge. It seamlessly integrates several modules: (i) microkinetic modeling that accounts for various reaction pathways; (ii) an LRE model that describes the interfacial region extending from the nanometric EDL continuously to the solution bulk; (iii) first-principles calculations that provide parameters, e.g., adsorption energies, activation barriers and EDL parameters. The microkinetic model considers all elementary steps without designating an a priori rate-determining step. The kinetics of these elementary steps are expressed in terms of local concentrations, potential and electric field that are codetermined by EDL charging and mass transport in the LRE model. Vital insights on electrode kinetic phenomena, i.e., potential-dependent Tafel slopes, cation effects, and pH effects, obtained from this hierarchical framework are then reviewed. Finally, an outlook on further improvement of the model framework is presented, in view of recent developments in first-principles based simulation of electrocatalysis, observations of dynamic reconstruction of catalysts, and machine-learning assisted computational simulations.

Insight into patina formed on beryllium-bronze after 29 years of exposure in an industrial environment and DFT research

This research explores the corrosion behavior of beryllium bronze over a period of 29 years in an industrial atmosphere, revealing an average corrosion rate of 0.557 μm·a−1. The skyward patina layer primarily consists of Cu2O, Cu4SO4(OH)6 and CuSO4, while the field-ward patina layer contains Cu2O, CuO, Cu4SO4(OH)6 and CuSO4. Density functional theory (DFT) calculations and XPS analysis show that Be oxidizes preferentially, providing early-stage corrosion protection. DFT and open circuit potential measurements suggest that the patina layer on the field-ward surface is more thermodynamically stable, but cracks serve as pathways for mass transport, accelerating corrosion.

Extracting Thermodynamic, Kinetic, and Transport Properties from Batteries Using a Simple Analytical Pulsing Protocol

Abstract Gaining insights into the fundamental properties of lithium-ion batteries through scalable and non-destructive methods is challenging for commercial cell formats. In this work, a simple analytical pulsing protocol (APP) is performed on a commercial cell to understand its thermodynamic, kinetic, and mass transport properties. While testing procedures that rely on electrochemical pulses are well documented, the APP is novel in the level of fundamental insight that can be gained. For thermodynamics, a static-differential capacity analysis can be performed that removes the effects of kinetic and transport overpotentials and allows for the calculation of Gibbs free energy. For kinetics, the exchange current density of the cell can be calculated according to the Butler-Volmer model. For transport, a whole-cell lithium-ion diffusion coefficient can be calculated from a derivation of Fick’s second law and the generalized flux equation. Comparing the results from these properties gives an unparalleled level of mechanistic insight into battery performance from a single non-destructive technique. This APP requires no additional equipment and provides properties that can be easily correlated to materials or processing parameters. Therefore, the APP is valuable for research and development, manufacturing, quality assurance, and second-life applications, among others.

Numerical and experimental investigation of solute transports through different types of dialyzer membrane

The flow and mass transport through different membrane types from different hemodialyzers are investigated in a co-current direction to emphasize the effect of solute diffusion through the dialyzer membranes. The numerical model consists of the blood flowing in a hollow fiber surrounded by a dialysate flow, where the mass transport and fluid flow were simultaneously calculated. The high flux dialyzers considered in the present study are FINEFLUX FIX-210S eco, ELISIO-210HR, and PEPA FDY-21B, which differ mainly in characteristics of the membrane structure and surface. Urea and maltodextrin solutions are used as model solutes to consider the effect of molecular size difference. The numerically predicted outlet concentrations closely align with experimental values, where the variation between predicted and measured values remain below 10% across all dialyzer types for urea solutions, and specifically below 8% for maltodextrin solution. Among the various dialyzers tested, FINEFLUX membrane could provide the highest maltodextrin clearance (83.09 ml/min) and overall mass transfer area coefficient (KoA) (119.56 ml/min) potentially due to its fast-diffusion characteristic. In this co-current flow study, the results suggest that urea transport is primarily influenced by flow control with minimal impact from boundary layers, while maltodextrin transport is predominantly governed by diffusion control.

Computational microfluidics of reactive transport processes with solid dissolution and self-induced multiphase flow

There are still many unclear mechanisms in the multiphase reactive flow with solid dissolution processes. In this study, the reactive transport processes coupled with solid dissolution and self-induced multiphase flow in three-dimensional (3D) structures with increasing complexity is studied by developing a 3D computational microfluidic method, which considers multiphase flow, interfacial mass transport, heterogeneous chemical reactions, and solid structure evolution. Solid dissolution diagram in a simple channel in the framework of multiphase flow is proposed, with six coupled multiphase flow and solid dissolution patterns identified and the transition between different patterns discussed. Then, multiphase reactive flow in a porous chip is further studied, and the interesting 3D phenomena are discovered, including enhanced solid dissolution in the middle and enriched bubble generation at the corner along the thickness direction. Considering the importance of reactive surface area, correlations of reactive surface area-porosity-saturation with different dissolution patterns are proposed based on the pore-scale results. Finally, the computational microfluidic model is extended to investigate the multiphase reactive flow in a 3D digital core. Different dissolution patterns are recognized using the local porosity evolution character, and the corresponding pore size distribution and bubble characteristics are deciphered. These findings advance understanding of multiphase reactive transport processes and contribute to improve continuum-scale reactive transport modeling.

12‐Ah‐Level Li‐Ion Pouch Cells Enabling Fast Charging at Temperatures between −20 and 50 °C

AbstractAchieving fast‐charging capabilities in Li‐ion batteries (LIBs)—charging 80% of the battery capacity within 15 minutes—while maintaining an acceptable cycle life remains challenging due to various polarizations occurring at elevated charge rates. Such a goal is more tough at subzero, as temperature reduction slows the kinetics process including electrolyte mass transport and electrode charge transfer, substantially increasing the risk of lithium plating. Herein, it is found that adding LiFSI to a LiPF6 carbonate‐based electrolyte alters the Li+ solvation structure, endowing the dual‐salt electrolyte with a higher Li+ diffusion coefficient and lower desolvation energy. Benefit from the smaller structural change and the formation of a robust, conductive solid electrolyte interphase, the 12Ah‐pouch cells based on LiNi0.52Co0.2Mn0.28O2 cathodes and graphite anodes demonstrate fast‐charging capabilities and stable cycling performance across a wide temperature range of −20 to 50 ℃: charging 89% and 93% of pouch cell capacity within 4 minutes at 25 and 50 ℃ and 82% within 15 minutes at −20 ℃, maintaining capacity retention of 94% after 2000 cycles at 8C at 0 ℃ and 89% after 350 cycles at −20 ℃ at 4C. This work might offer new insights into enhancing the fast‐charging capabilities of LIBs under extreme conditions.

Probing the Origin of Overpotential for Sodium‐Oxygen Batteries with Distribution of Relaxation Time

AbstractSodium‐oxygen batteries are emerging as new battery systems. Deep understanding of the origin of overpotential and the kinetic process in sodium‐oxygen batteries remain challenging yet critical. We apply a method of distribution of relaxation time (DRT) to decipher the electrochemical impedance spectroscopy (EIS), allowing us to monitor the changes of different kinetic processes during the discharging and charging. The origin of the overpotential in a battery was further comprehensively investigated combining DRT analysis with differential electrochemical mass spectrometry, Raman and other characterizations. Overpotential is found to primarily stem from oxygen mass transport during discharging, and from poor solid‐solid contact at the electrode surface during charging. Our work demonstrates the study of kinetic processes using DRT analysis, and suggests effective ways to improve the performances of sodium‐oxygen batteries.

Overcoming passivation through improved mass transport in dense ionic fluids.

Deep Eutectic Solvents (DESs) have recently been shown to be part of a dense ionic fluid continuum between ionic liquids and concentrated aqueous brines. Charge transport was shown to be governed by fluidity, with no discontinuity between molar conductivity and fluidity irrespective of cation, charge density or ionic radius. By adjusting the activity of water and chloride ions, mass transport, speciation and reactivity can be altered. It has been shown that while brines provide a high chloride content at a lower viscosity than DESs, unlike DESs, brines are unable to prevent metal passivation due to their high water content. This results in the possibility to impart a level of selectivity towards metal dissolution (or passivation) when processing mixed metal materials. Forced convection can be used to avoid the issue of slow mass transport in viscous media, and the use of jets or targeted ultrasound are effective methods for overcoming this issue. High-powered ultrasound was applied to copper, cobalt, and aluminium electrodes undergoing anodic dissolution, and linear sweep voltammetry showed a linear current-voltage response at potentials anodic of the oxidation potential under sonication, with total charge passed being 5 to 134 times greater than under silent conditions. Application of ultrasound to silver and nickel electrodes displayed an initial linear current-voltage response, but the increased water content of the brines resulted in passivation. Mass transport throughout the bulk solution is governed by the forced convection imparted by the ultrasound and ionic species must only migrate across the electrical double layer. It is shown that the anodic dissolution of a range of metals classically expected to passivate, e.g. aluminium, can be significantly accelerated under insonation conditions.

The increasingly dominant role of climate change on length of day variations

The melting of ice sheets and global glaciers results in sea-level rise, a pole-to-equator mass transport increasing Earth's oblateness and resulting in an increase in the length of day (LOD). Here, we use observations and reconstructions of mass variations at the Earth's surface since 1900 to show that the climate-induced LOD trend hovered between 0.3 and 1.0 ms/cy in the 20th century, but has accelerated to 1.33 [Formula: see text] 0.03 ms/cy since 2000. We further show that surface mass transport fully explains the accelerating trend in the Earth oblateness observed in the past three decades. We derive an independent measure of the decreasing LOD trend induced by Glacial Isostatic Adjustment (GIA) of [Formula: see text]0.80 [Formula: see text] 0.10 ms/cy, which provides a constraint for the mantle viscosity. The sum of this GIA rate and lunar tidal friction fully explains the secular LOD trend that is inferred from the eclipse record in the past three millennia prior to the onset of contemporary climate change. Projections of future climate warming under high emission scenarios suggest that the climate-induced LOD rate may reach 2.62 [Formula: see text] 0.79 ms/cy by 2100, overtaking lunar tidal friction as the single most important contributor to the long-term LOD variations.

A study of methanol‐to‐olefins packed bed reactor performance using particle‐resolved CFD and machine learning

AbstractIn this study, particle‐resolved computational fluid dynamics (CFD) simulations were performed to analyze fluid flow, mass transport, and reaction phenomena in methanol‐to‐olefins packed bed reactors with diverse cylindrical configurations and operating conditions. Utilizing validated CFD data, data‐driven surrogate models were developed based on several representative machine learning (ML) techniques. Comprehensive training and optimization of ML model hyperparameters were performed, followed by a comparative assessment of their capabilities to predict reactor performance. Subsequently, data‐driven surrogate models together with CFD simulations were applied to optimize catalyst structure design and operating conditions. Finally, a hybrid approach was developed that couples the ML‐aided data‐driven model with a genetic algorithm‐based multi‐objective optimization. The resulting hybrid method was applied to find the Pareto‐optimal compromise between pressure drop and light olefins yield.