A high-throughput (105.5 g/h) passive four-stage asymmetric oscillating feedback microreactor using chaotic mixing mechanism was developed to prepare aggregated BaSO4 particles of high primary nanoparticle size uniformity. Three-dimensional unsteady simulations showed that chaotic mixing could be induced by three unique secondary flows (i.e., vortex, recirculation, and oscillation), and the fluid oscillation

The model predictive controller (MPC) design is developed for a tubular chemical reactor, considering a second-order hyperbolic partial differential equation as the model of the transport-reaction process with boundary actuation. Without loss of generality, closed-closed boundary conditions and relaxed total flux are assumed. At the same time, the model is discretized in time by the Cayley-Tustin method

Predictive mathematical models are a cornerstone of science and engineering. Yet selecting, calibrating, and validating said science-based models often remains an art in practice. Model-based design of experiments (MBDoE) provides a systematic framework to maximize information gain from experiments while minimizing time and resource costs. But MBDoE remains limited to niche application areas, in part

Turbulent heat transport phenomena in multiple-started helically ribbed pipes are investigated. Such structures are applied to enhance heat transfer in various technical systems. A large-eddy simulation (LES) approach is used to model the turbulent flow field. The simulation results for heat transfer and pressure loss are in good agreement with available experimental data and the simulation model is

Liquid distributors have an important influence on packed towers' hydrodynamics and mass transfer performances. This work has designed a narrow-trough liquid distributor with stepped baffle plates to regulate liquid flow. The liquid mainstream is diverted layer by layer by stepped baffles to realize the uniform distribution of liquid. The relationship between liquid flow and the baffle plates arrangement

Bone health is determined by factors including bone metabolism or remodeling. Wnt-10b alters osteoblastogenesis through pre-osteoblast proliferation and differentiation and osteoblast apoptosis rate, which collectively lead to the increase of bone density. To model this, we adapted a previously published model of bone remodeling. The resulting model for the bone compartment includes differential equations

To validate the experimental results of Part-1, we conducted a two-phase flow simulation of imbibition of a wetting liquid through 2D microstructures made of ellipses of varying aspect ratios. The flow simulation in the particulate microstructures, characterized by low (ellipse) aspect ratio, produced somewhat even micro-fronts, thus replicating the sharp fronts at the visual (macroscopic) scale observed

Dry desulfurization employing porous adsorbents is industrially preferred but efficient capture of SO2 at the ultra-low concentration (i.e., 2000 ppm) is exceptionally challenging. Metal-organic frameworks with open metal sites (OMSs) can provide sufficient interactions with SO2, which, in turn, will degrade or compromise the structural robustness. Herein, we reported Cu-ATC that contains dense oppositely

Alpha-ketoglutaric acid (α-KG), as an essential intermediate in biosynthesis and drug synthesis, has a broad application prospect. However, the lower product concentration and impurities in the α-KG production make the downstream separation more complex and costly. In this study, α-KG was separated from biotransformation broth by salting-out extraction (SOE) combined with solar-driven distillation

The adequate correlation of experimental phase equilibrium data by using any thermodynamic model represents a key point for the rigorous design of the chemical processes. However, this data correlation process remains a challenging problem, due to the high nonlinearity of the models used and the consequent problems of convergence. The present work analyzes the NRTL model to check the relation between

In this paper, the effects of gas concentration on hydrodynamics of gas-liquid two-phase flow with mass transfer during gas absorption in a microchannel are investigated, by using 2-amino-2-methyl-1-propanol (AMP) solution to absorb mixtures of CO2 and N2 with various volume fractions. The concentration of CO2 not only affects the driving force of gas-liquid mass transfer, but also affects the pressure

At present, the development of high-performance protein imprinted materials is still a research hotspot in the field of protein imprinting. Herein, anti-protein adsorption segment (CBMA)-assisted self-driven BSA surface imprinted fibers MTCFs@SIP@CBMA with high recognition selectivity are pioneered using the strategies of combining magnetic nanomaterial surface imprinting technique with amino-Michael

Investigations on nanomedicine involve conventional 2D imaging techniques for observing the nanoparticle internalization at a single time point where various phases of internalization can be overlooked. In contrast, 3D imaging of fluorescent nanoparticles with anticancer potential can be used for obtaining the time course of cellular retention of particles, and cells can be followed for days. This

For “Modeling of gas-liquid flow in a rotating packed bed using an Eulerian multi-fluid approach” by Zhang et al. (Doi:10.1002/aic.17561, AIChE J. 2022; e17561), the following equation is corrected by this erratum. Equation (26) must be AGL=202.3485(gcg1)0.0435(UU1)0.4275(γγ1)0.1200(φφ1)−0.5856AGL=202.3485gcg10.0435UU10.4275γγ10.1200φφ1−0.5856$$ {A}_{GL}=202.3485{\left(\frac{g_c}{g_1}\right)}^{0.0

Gas-induced liquid-phase mixing in shallow vessels is important to primary and secondary steel-refining processes and governs the quality of the steel. In the present work, we have investigated the dynamics of meandering bubble plumes and their role in liquid-phase mixing in shallow vessel that corresponds to 1:6 scaled-down model of ladle used in the secondary steel-refining process. The effects of

Uncertainty in refinery planning presents a significant challenge in determining the day-to-day operations of an oil refinery. Deterministic modelling techniques often fail to account for this uncertainty, potentially resulting in reduced profit. The stochastic programming framework explicitly incorporates parameter uncertainty in the problem formulation, thus giving preference to robust solutions

As a new type of gas–liquid microreactors, the gas–liquid mini-bubble column has potential applications. However, few studies on the flow fields in the mini-bubble column can be found at present. In this work, particle image velocimetry (PIV) was used to visually study the velocity fields, vorticity fields and bubble dynamics in the gas–liquid mini-bubble columns with column inner diameters of 1–3 mm

Two-dimensional lamellar membranes are promising for efficient molecule transfer, while the underlying transfer mechanism is rarely elucidated. Herein, heterostructured nanosheets are prepared by self-assembling small-sized hydrophilic cyanuric acid melamine and hydrophobic g-C3N4 nanosheets. Resultant lamellar membranes show comparable affinity to polar and nonpolar solvents, allowing them to dissolve

Accurate, predictive reaction models are critical for the design and optimization of chemical looping combustion (CLC) reactors. The formulation and estimation of kinetic parameters for these reaction models using a first-principles equation-oriented (EO) approach is particularly beneficial as large amounts of experimental data spanning process-relevant conditions can be used to estimate parameters

This study aims to characterize the hydrodynamics and flow characteristics in a twin-blade planetary mixer with non-Newtonian fluids by using CFD modeling technique. The kneading pressure was recorded using an experimental setup, and a CFD model was verified. The flow characteristics and hydrodynamics in the mixing vessel containing the power-law fluids were analyzed quantitatively, particularly the

Sulfur oxidative coupling of methane (SOCM) has seen a significant improvement in catalyst design and performances, but there is still a lack of development at process level. We propose an optimized SOCM process flow diagram, with integrated waste heat recovery system and an efficient separation technique. The outcomes of the simulated process were used to design a data-driven modeling approach, based

Selectively separating CH4 from N2 in natural gas purification is extremely important, but challenging. Herein, a copper-based metal–organic framework (MOF) NKMOF-8-Me with inert pore environment was reported for efficient CH4/N2 separation. Adsorption results show that this material owns the highest CH4 uptake (1.76 mmol/g) and initial adsorption heat (Qst0) of CH4 (28.0 kJ/mol) as well as difference

Effect of confinement (wall proximity) of a confined impinging jet reactor (CIJR) on the flow field, residence time distribution and heat transfer are explored, through experiments and CFD simulations. Hydrodynamic characteristics are evaluated for different parameters namely confinement, impinging jet velocity, temperature gradient, and so on. For 2 mm confinement, highest values of dispersion number

Ring-opening of epoxides with carboxylic acids has been widely used to prepare many high value intermediates in the polymer and pharmaceutical industries. Most of conventional processes proceeded in batch stirred reactors. As such they always suffer from low productivity and selectivity. Here we developed an advanced technology to perform the ring-opening reaction of epichlorohydrin with neodecanoic

Cell penetrating peptides (CPPs) are short peptides that can carry biomolecules of varying sizes across the cell membrane into the cytoplasm. Correctly identifying CPPs is the basis for studying their functions and mechanisms. Here, we propose a novel CPP predictor that is able to predict CPPs and their uptake efficiency. In our method, five feature descriptors are applied to encode the sequence and

The deformation and breakup behaviors of droplets containing polymer are investigated by high-speed photography to reveal the mechanism of electric field collapse when treating the emulsion containing polymer. The results show the electric field collapse process caused by droplet breakup consists of three steps. First, the droplet containing polymer ejects liquid filament under strong electric field

Exploring highly active and stable electrocatalysts for oxygen evolution reaction (OER) is crucial for developing water splitting and rechargeable metal-air batteries. In this study, a hybrid electrocatalyst of CoFe alloy and CoxN heterojunction encapsulated and anchored in N-doped carbon support (CoFe-CoxN@NC) was in situ coupled via the pyrolysis of a novel coordination polymer derived from lignin

Palladium-based catalysts have been widely employed in the electro-Fenton process for in situ generation of H2O2. However, the process is still far from being practical on a large scale. In this work, a series of ClxFePd/γ-Al2O3/Al catalysts were prepared by a three-step-impregnation method. They exhibited excellent activity in H2O2 in situ synthesis and high efficiency in phenol degradation. The characterization

CH4-CO2 chemical looping is proposed for separate H2 and CO production using nanostructured Fe-Ni looping materials. The product streams are obtained by first feeding CH4, which decomposes to H2 and carbon. The latter acts as reductant for the subsequent CO2 feed, which together with Fe re-oxidation yields CO. After 25 CH4-CO2 cycles, 10Fe5Ni@Zr has a higher H2 space–time yield than 10Fe0Ni@Zr (20

Due to the complexity of thermal effects in porous electrodes, the process of temperature rise in supercapacitors is difficult to be quantified by some simple but physically meaningful formulas. Here, the stack-electrode model is applied to investigate this issue both analytically and numerically. The numerical results show the process has three relaxation times, which divide that into four stages

Accurate prediction of infinite dilution activity coefficient (γ∞) for phase equilibria and process design is crucial. In this work, an experimental γ∞ dataset containing 295 solutes and 407 solvents (21,048 points) is obtained through data integrating, cleaning, and filtering. The dataset is arranged as a sparse matrix with solutes and solvents as columns and rows, respectively. Neural collaborative

We perform numerical simulations of Stokes flow through ordered arrays of fibers of square cross-section. The results for the permeability of single-size-fiber arrays are in very good agreement with the well-known correlation of Jackson and James, provided that an effective radius of equivalent cylindrical fibers is used with the same cross-sectional area. Then, we consider arrays of mixtures of different-sized

A two-step integrated metal-organic framework (MOF) and pressure/vacuum swing adsorption (P/VSA) process design has been recently established for gas separation. In the first step, selected MOF descriptors and process operating conditions are simultaneously optimized to maximize the process performance. Based on the obtained results, the second step (i.e., MOF matching) is addressed and exemplified

In this article, a new method is proposed to quantificationally evaluate the effect of pore heterogeneity on the adsorption behavior of fluids in nanopores. First, the assumptions of furrowed, sinusoidal, and ravine pore surfaces are proposed to represent the heterogeneous nanopores in shale. Under the assumptions, a multicomponent potential theory of adsorption (MPTA) is coupled with Peng–Robinson

In this article, polyethylene oxide glycerin aqueous solution is used as the dispersed phase, and cyclohexane is used as the continuous phase to study the formation mechanism of viscoelastic fluid droplets in a step-emulsification microdevice. The formation process of viscoelastic droplets mainly includes three stages: two-dimensional expansion stage, necking stage, and pinch-off stage. The elasticity

We proposed a fast method to solve the petroleum molecular reconstruction problem via initial guess estimation coupled with local optimization algorithm. A virtual oil database was constructed. After inputting the bulk properties of the target oil, several virtual oils with similar bulk properties were selected and their model parameters were used as the initial guesses. Subsequently, we proved that

In the mid-1950s, Pontryagin et al. published a principle that became a fundamental concept in optimal control (OC) theory. The principle provides theoretical and practical methods to find the solution of OC problems, in particular, open-loop control problems. In chemical engineering, the principle has played an important role as a decision making framework for more than 60 years. This study gathers

The temporal analysis of products (TAP) reactor provides a route to extract intrinsic kinetics from transient measurements. Current TAP uncertainty quantification only considers the experimental noise present in the outlet flow signal. Additional sources of uncertainty such as initial surface coverages, catalyst zone location, inert void fraction, gas pulse intensity, and pulse delay, are not included

As the majority of global natural gas hydrate reserve, the dissociation conditions of hydrate in clayey silts are of great significance for its efficient production. In this work, the dissociation conditions of methane hydrate in clayey silt cores were experimentally measured by step-heating method at the temperature range of 280.76–289.55 K and pressure range of 8.11–15.03 MPa, respectively. Various

In this work, the density, viscosity, and specific heat capacity of pure 1-dimethylamino-2-propanol (1DMA2P) as well as aqueous unloaded and CO2-loaded 1DMA2P solution (with a CO2 loading of 0.04–0.70 mol CO2/mol amine) were measured over the 1DMA2P concentration range of 0.5–3.0 mol/L and temperature range of 293–323 K. The observed experimental results of these thermophysical properties of the 1DMA2P-H2O-CO2

The high viscosity of ionic liquids (ILs) limits their practical application in SO2 capture. In this work, the low viscous aminoalkyl-phenyl-silanes were synthesized to capture SO2. The π–π interaction between phenyl groups reduced the volatility of aminoalkyl-phenyl-silanes greatly, but it did not increase their viscosity significantly. Among them, N-[(dimethylphenylsilyl)methyl]-N-methylbenzenemethanamine

This study aims to use perturbed-chain statistical associating fluid theory (PC-SAFT) to describe the phase behavior of systems containing deep eutectic solvents (DESs) and ionic liquids (ILs). The DESs are based on tetrabutylammonium chloride and tetrabutylammonium bromide as hydrogen bond acceptors, and levulinic acid and diethylene glycol as hydrogen bond donors in the mole ratio of 1:2 and 1:4

Crude oil pipeline transportation is one of widely used ways in land transportation and comprises a large share of the world's long-distance oil transmission. Warming and heat preservation of crude oil is vital for efficient oil pipeline transportation. However, it remains a formidable challenge in coping with caused tremendous energy consumption and environmental pollution. In this work, bio-based

The porous electrode under the rib area suffers from lower local oxygen concentration and more severe water flooding than that under the channel, which significantly affect the performance of proton exchange membrane fuel cells. To improve the oxygen concentration and water drainage under the rib, a series of novel flow fields with auxiliary channels equipped with through-plane arrayed holes were manufactured

Hydrogen peroxide (H2O2) has been listed as one of the 100 most important chemicals in the world. However, huge amount of residual H2O2 is hard to timely decomposed into O2 and H2O under acidic condition, easily resulting in explosion hazard. Here, we reported a core–shell structure catalyst, that is graphene with CoN structure encapsulated Co nanoparticles. CoN graphene shell serves as the active

Chemical engineering systems often involve a functional porous medium, such as in catalyzed reactive flows, fluid purifiers, and chromatographic separations. Ideally, the flow rates throughout the porous medium are uniform, and all portions of the medium contribute efficiently to its function. The permeability is a property of a porous medium that depends on pore geometry and relates flow rate to pressure

Knowledge of bubble size distribution (BSD) is critical for controlling mass transfer and reaction in bubble column reactors. Installation of internals further complicates this issue. The effects of internals on BSD were systematically investigated through experiments and computational fluid dynamics-population balance model simulations. The experiments show a bimodal distribution of the volume-based

A composite tridimensional rotational flow sieve tray (CTRST) is proposed. The flow patterns of CTRST were visually categorized, combined with the standard deviation of the pressure difference. In the TRST area of the internal packing-type tray, the membrane-drip column and foam-embolic flow is present, while bubbly and milk froth-ribbon flow is present in the packing area of the external packing-type

The development of ethane (C2H6)-selective adsorbents for ethylene (C2H4) purification, although challenging, is of prime industrial importance. Pillared-layer metal-organic frameworks (MOFs) possess facilely tunable pore structure and functionality, which means they have excellent potential for high-performance C2H6/C2H4 separation applications. Herein, we report a family of isostructural pillared-layer

Methods for predicting Henry's law constants Hij are important as experimental data are scarce. We introduce a new machine learning approach for such predictions: matrix completion methods (MCMs) and demonstrate its applicability using a data base that contains experimental Hij values for 101 solutes i and 247 solvents j at 298 K. Data on Hij are only available for 2661 systems i + j. These Hij are

Biodiesel has recently gained popularity due to its environmental issues and the fact that it is generated from renewable resources. However, the cost of the synthesis of biodiesel is the major impediment to commercialization. The utilization of leftover cooking oils as raw material, the adaptation of a continuous transesterification process, and the use of cheap catalysts are the major possibilities

Development of materials with excellent separation performances remains an ongoing challenge in methane/nitrogen (CH4/N2) separation science. Herein, a facile and effective method for enhancing CH4 uptake, binding, and CH4/N2 selectivity using the surface-carbonized and stiffened zeolitic imidazolate framework-8 (CSZ) via high-vacuum-resistance calcination (HVRC) was demonstrated. Such vacuum-treated

Small-molecule drugs are of significant importance to human health. The use of efficient model-based de novo drug design method is an option worth considering for expediting the discovery of drugs with satisfactory properties. In this article, a deep learning model is first developed for identifications of protein-ligand complexes with high binding affinity, where the Mol2vec descriptor, the convolutional

In this work, a kinetics-integrated CFD model based on coupling computational fluid dynamics (CFD) and biokinetic was developed to guide the industrial scale-up for fermentation of docosahexaenoic acid (DHA). Two-substrate biokinetic equations for a 5 L bioreactor with oxygen and nitrogen source as limiting substrates were established, which were further coupled with CFD to simulate the biomass growth

Tumor microenvironment (TME) normalization improves efficacy by increasing anticancer nanocarrier delivery by restoring transvascular pressure gradients that induce convection. However, transport depends on TME biophysics, normalization dose, and nanocarrier size. With increased understanding, we could use computation to personalize normalization amount and nanocarrier size. Here, we use deterministic

Proton exchange membrane water electrolysis (PEMWE) is currently developed for the design of mature industrial-scale manufactures with commercialization. It needs reducing hydrogen production cost by lowering material cost and increasing operating current density. In engineering perspectives, the study of electrolytic performance during dynamic operation is crucial for PEMWE system management and process

Increasingly volatile electricity prices make simultaneous scheduling optimization desirable for production processes and their energy systems. Simultaneous scheduling needs to account for both process dynamics and binary on/off-decisions in the energy system leading to challenging mixed-integer dynamic optimization problems. We propose an efficient scheduling formulation consisting of three parts:

The dependence of the maximum and minimum wet thicknesses on the coating gap is derived for the slot-die coating process, under different slot-die configurations. Analytical expressions for the wet thickness and its derivative with respect to the coating gap are obtained using a simple flow model. The results indicate that, as expected, the minimum wet thickness increases linearly with the coating

A bubble coalescence model for a solution with a nonionic surfactant and with a low bubble approach velocity was developed, in which the mechanism of how coalescence is hindered by Marangoni stress was quantitatively analyzed. The bubble coalescence time calculated for ethanol–water and MIBC–water systems were in good agreement with experimental data. At low surfactant concentrations, the Marangoni

Deep eutectic solvents (DESs), a novel category of sustainable solvents, are expected to achieve the design of the chemical processes without utilizing or generating harmful chemicals. In this work, based on the mathematical model inspired by the transition state theory, the group contribution method is used to accurately predict the viscosity of DESs. The model is constrained by Eyring rate theory