Chemical Engineering Applications Research Articles

Dynamic simulation of unsteady Casson–Carreau fluid flow considering temperature-dependent variable-properties and thermo-solutal mixed convection over flat and slendering sheets

The present investigation delves into the intricate interplay between surface effects and fluid dynamics, focusing on the flow characteristics of Casson and Carreau fluids endowed with temperature-dependent thermophysical properties. Specifically, the study explores the ramifications of radiative, mixed convection, and magnetized processes on heat and mass transfer phenomena. A comprehensive mathematical model is developed to analyze the behavior of Casson–Carreau fluids in conjunction with microscopic particles and gyrotactic microorganisms over both flat and slender surfaces. Leveraging similarity transformations, the governing equations are transformed into dimensionless form, facilitating numerical solutions using the bvp5c solver in MATLAB. The ensuing numerical and graphical analyses elucidate key physical quantities, including local skin friction coefficients, gyrotactic microorganism density, Nusselt number, and Sherwood number, across a spectrum of physical parameters. Notably, the investigation underscores the profound influence of flat surfaces on flow patterns and highlights the heightened consumption of fluid particles with increasing variable diffusivity and thermal conductivity. Moreover, enhanced values of parameters such as variable motile microorganism diffusion coefficient, Brownian motion parameter, and temperature-dependent thermal conductivity parameter are found to augment the Nusselt number, indicative of intensified heat transfer rates. This research underscores the imperative of comprehending the intricate dynamics of fluid flow and heat transfer, offering actionable insights for enhancing engineering designs and addressing multifaceted challenges across domains encompassing chemical engineering, environmental science, and biomedical applications.

Enhanced predictive optimization of methane dry reforming via ResponseSurface methodology and artificial neural network approaches: Insights using a novel nickel-strontium-zirconium-aluminum catalyst

This study investigates the molecular dynamics of methane dry reforming catalyzed by a novel nickel-strontium-zirconium-aluminum (5Ni+3Sr/10Zr+Al) catalyst, leveraging both Response Surface Methodology (RSM) and Radial Basis Function Neural Network (RBFNN) for predictive optimization. Focusing on the impact of operational parameters—hourly space velocity, reaction temperature, and CO2:CH4 mole ratio—on the conversion rates and formation of reaction components, we aim to predict optimal conditions and corresponding process variables. Through a comparison of a three-layer Feed Forward Neural Network, optimized at a 3:10:1 topology, with traditional RSM approaches, our findings highlight the superior predictive capabilities of ANN models. Notably, ANN demonstrated exceptional performance with Radj2and F_Ratio values significantly surpass those of RSM, alongside lower statistical error terms. This superiority is attributed to ANN's robust handling of nonlinear relationships between inputs and outputs, asserting its potential for enhancing predictive accuracy in chemical process optimization. At optimum predicted conditions like 1 CH4/CO2,750 °C reaction temperature, 12000 cm3g−1h−1 space velocity, NiSrZrAl outperformed with > 85 % CH4 and CO2 conversion with H2/CO ∼1 up to 20 h time on stream. Our research underscores the importance of integrating advanced modeling techniques for the efficient and accurate prediction of catalytic reactions, offering valuable insights for future applications in chemical engineering and catalysis.

Heat transfer enhancement in a trapezoidal cavity due to the cavity orientation and marangoni convection

Understanding Marangoni convection and nanoparticles' convection holds significant potential for applications in materials science, chemical engineering, and biomedical engineering. This article delves into Marangoni convection within cavity flow and its implications for fluid dynamics and thermodynamics. Our study finds out that the various orientations of the trapezoidal cavity affect the convection phenomenon inside the cavity. Additionally, the influence of nanoparticles is explored, with concentrations (0.001≤ φ ≤ 0.01), Rayleigh numbers (104 ≤ Ra ≤106) and Marangoni convection (100 ≤ Ma ≤900). A comparison study considering the Marangoni convection shows that its presence can enhance the heat transfer rate. Considering Marangoni convection with the smaller side at top leads to a notable enhancement of the Nusselt number.

On Inter‐bubble Hydrodynamics and Cluster Formation in Non‐Newtonian Bubbly Columns: A Review

AbstractA comprehensive understanding of the inter‐bubble dynamics and the cluster formations in non‐Newtonian fluids is pivotal for chemical and biomedical engineering applications. In this review, we summarize current research efforts to provide a fundamental understanding and engineering principles of the interactions between bubbles and the dynamics of bubble clusters in non‐Newtonian fluids. Although the majority of research is still predominantly conducted through experimentation, the significance of computational fluid dynamics in elucidating interaction mechanisms has become increasingly prominent in recent years. Moreover, the gas‐liquid systems reviewed in this paper are driven by gravity, which is closer to the actual industrial processes. We indicate the effects of non‐Newtonian fluid special rheological properties (especially viscoelasticity and shear‐dependent viscosity) on the interaction between multiple bubbles and the formation of clusters. We summarize the main empirical correlations in related research, which are useful for the optimization of industry. Ultimately, we address the current trends, limitations, and future directions in this research field.

DFT and TD‐DFT Study of Many‐Body and Hydrogen Bonding Interactions: Nitrosamine Oligomers

AbstractThis study focuses on the properties and intermolecular interactions of nitrosamine oligomers, which are important in both semiconductor manufacturing and nuclear waste management. The study explores various configurations of nitrosamine oligomers, ranging from monomers to pentamers in linear, ladder, and cyclic clusters, with the finding that dimer cyclic forms and hexamers and above are unstable. Many‐body analysis revealed that two‐body interaction energies made remarkable contributions to the binding energy, while the sum of 3‐, 4‐, and 5‐body energy contributed less, indicating the decrease in stability of nitrosamine from dimer to pentamer clusters. Using advanced computational techniques, such as dispersion‐corrected B3LYP‐D3 and TD‐DFT, the study investigates the vibrational modes and electronic absorption spectra of nitrosamine oligomers. The results reveal that different configurations can significantly affect the vibrational modes and electronic properties of nitrosamine oligomers. The NH2 symmetric and asymmetric modes were particularly intense in various forms of nitrosamine oligomers. The wavelengths of electronic transition, oscillator strength, and HOMO to LUMO gap were reported. Additionally, the study reports on nitrosamine oligomers’ hydrogen‐bonded cooperativity and binding energy contributions. Overall, these findings offer valuable insights into the stability and properties of nitrosamine oligomers, with potential applications in materials science and chemical engineering.

Numerical simulation study of bubble breakup mechanism in microchannels with V-shaped obstacle

Microfluidic gas-liquid two-phase flow in microchannels plays a crucial role in diverse applications, from electronics cooling to biomedical engineering. Precisely controlling microbubble formation and breakup is essential for industrial microfluidic processes. This study investigates microbubble breakup in microchannels with V-shaped obstacles. Four breakup patterns are identified: no breakup, breakup with permanent gaps, breakup with partly obstruction, and breakup with permanent obstruction. The bubble breakup with permanent obstruction could maintain a wider flow pattern range. The bubble breakup process is categorized into three stages: squeezing, transition, and pinch-off. We observe power-law relationships between bubble characteristics and dimensionless time in each stage, and the impact of the capillary number Ca and liquid phase viscosity μL on bubble properties. This research deepens our understanding of gas-liquid two-phase flow in microchannels with obstacle structures and is relevant to analytical chemistry and fine chemical engineering applications.

Derivative-free bound-constrained optimization for solving structured problems with surrogate models

We propose and analyze a model-based derivative-free (DFO) algorithm for solving bound-constrained optimization problems where the objective function is the composition of a smooth function and a vector of black-box functions. We assume that the black-box functions are smooth and the evaluation of them is the computational bottleneck of the algorithm. The distinguishing feature of our algorithm is the use of approximate function values at interpolation points which can be obtained by an application-specific surrogate model that is cheap to evaluate. As an example, we consider the situation in which a sequence of related optimization problems is solved and present a regression-based approximation scheme that uses function values that were evaluated when solving prior problem instances. In addition, we propose and analyze a new algorithm for obtaining interpolation points that handles unrelaxable bound constraints. Our numerical results show that our algorithm outperforms a state-of-the-art DFO algorithm for solving a least-squares problem from a chemical engineering application when a history of black-box function evaluations is available.

From Atomic-Level Synthesis to Device-Scale Reactors: A Multiscale Approach to Water Electrolysis.

ConspectusThe development of an advanced energy conversion system for water electrolysis with high efficiency and durability is of great significance for a hydrogen-powered society. This progress relies on the fabrication of electrocatalysts with superior electrochemical performance. Despite decades of advancements in exploring high-performance noble and non-noble metal electrocatalysts, several challenges persist at both the micro- and macrolevels in the field of water electrolysis.At the microlevel, which encompasses electrocatalyst synthesis and characterization, design strategies for high-performance electrocatalysts have primarily focused on interface chemical engineering. However, comprehensive understanding and investigation of interface chemical engineering across various length scales, from micrometers to atomic scales, are still lacking. This deficiency hampers the rational design of catalysts with optimal performance. Under harsh reaction conditions, such as high bias potential and highly acidic or alkaline media, the surface of catalyst materials is susceptible to undergoing "reconstruction", deviating from what is observed through ex situ characterization techniques postsynthesis. Conventional ex situ characterization methods do not provide an accurate depiction of the catalyst's structural evolution during the electrocatalytic reaction, hindering the exploration of the catalytic mechanism.At the macrolevel, pertaining to catalysis-performance evaluation systems and devices, traditional laboratory settings employ a conventional three-electrode or two-electrode system to assess the catalytic performance of electrocatalysts. However, this approach does not accurately simulate hydrogen production under realistic industrial conditions, such as elevated temperatures (60-70 °C), high current densities exceeding 0.5 A cm-2, and flowing electrolytes. To address this limitation, it is crucial to develop testing equipment and methodologies that replicate the actual industrial conditions.In this Account, we propose a multiscale research framework for water electrolysis, spanning from microscale synthesis to macroscale scaled reactor design. Our approach focuses on the design and evaluation of high-performance HER/OER (hydrogen evolution reaction/oxygen evolution reaction) electrocatalysts, incorporating the following strategies: Leveraging principles of interface chemical engineering across various length scales (micrometers, nanometers, and atoms) enables the design of catalyst materials that enhance both activity and durability. This approach provides a comprehensive understanding of the intricate interplay between the catalyst structure and activity, implementing in situ/operando characterization techniques to monitor dynamic interfacial reactions and surface reconstruction processes. This facilitates a profound exploration of catalytic reaction mechanisms, offering insights into the catalyst's structural evolution during the electrocatalytic reaction. We construct a laboratory-scale membrane electrode assembly (MEA) electrochemical reactor capable of operating at high current densities (>1 A cm-2) to evaluate the electrocatalytic performance under simulated industrial conditions. This ensures objective and authentic assessments of the catalyst application potential. Throughout the following sections, we illustrate the application of interface chemical engineering on different length scales in designing diverse electrocatalyst materials. We rely on in situ characterization techniques to gain a profound understanding of the mechanisms behind the HER and OER. Additionally, we describe the development of both acidic and alkaline MEA electrochemical reactors to enhance the precision of electrocatalytic performance evaluation. Finally, we provide a concise overview of the challenges and opportunities in this field.

Thermal energy transport in stratified 2D-Casson fluid flow over an inclined exponentially stretching surface with Soret/Dufour effects: Numerical simulations and applications in energy harvesting

Significance: The thermal energy transfer in nanofluid flow over an exponentially stretching surface has crucial practical configurations in various industrial processes, and it has potential applications in heat exchangers, chemical engineering, energy harvesting, and material processing. Purpose: This study is devoted to exploring the features of free convection in the thermally stratified, unsteady flow of Casson fluid over an inclined, exponentially stretching surface. Moreover, the implications of nonlinear thermal radiation, activation energy, and thermal/salute stratification effects are examined over the thermal energy transport distributions. Diffusion-thermo and thermo diffusion impressions are also taken into consideration. Methodology: By introducing reasonable transformations, partial differential equations are altered into ordinary differential equations. A nonlinear system of differential equations is solved numerically by employing the Midrich numerical technique. Findings: The impacts of diverse fluid parameters like the Soret/Dufour number, temperature difference parameter, radiation parameter, thermal/salute stratification parameter, magnetic parameter, and Prandtal number are assessed and depicted in plots by explaining the physical justifications of each parameter. Also, numerical values of sink friction and local Nusselt and Sherwood numbers are computed and examined for different values of pertinent variables involved in the problems. It is found that the rate of thermal energy transport is significantly enhanced by the larger estimation of the radiation parameter. Furthermore, it is perceived that the escalation in the temperature ratio constant leads to increased thermal convection in the fluid, while the larger thermal stratification constant decays the rate of heat transport in the fluid. Additionally, the rate of thermal transport is de-escalated due to the escalation in the intensity of thermal stratification parameter.

On the rising dynamics of a Taylor bubble in sudden/gradual expansion tubes filled with viscoelastic liquids

In this paper, the rise behaviors of Taylor bubbles are investigated in sudden/gradual tubes filled with viscoelastic media via grid adaptive direct numerical simulations (DNS). The exponential Phan–Thien–Tanner (PTT) constitutive model is used to describe the viscoelastic rheological characteristics, and the phase interface is captured via the volume of fluid (VOF) method. The effects of tube structure (diameter ratio and structural angle) and fluid elasticity (expressed by the Weissenberg number Wi) on bubble dynamics have been studied. Our results indicate that bubbles are prone to rupture in the expansion tubes, mainly due to the dual effects of the wall and the elastic relaxation. The fluid elasticity suppresses the jet effect in a sudden expansion tube. Meantime, as the structural angle or the diameter ratio increases, the wall effect is weakened on axial or radial scales, inhibiting the bubble rupture. A large structure angle attenuates the wall effect, while changes in the diameter ratio slow down the radial momentum transfer near the wall region, both of which favor bubble integrity. We also obtain an exponential relationship between the critical rupture time and the structure angle. The dynamical Taylor bubbles can be operated by the structure of the tube and surrounding fluid viscoelasticity, which is of great significance in chemical engineering applications involving complex non-Newtonian fluids.

Trends of Chemical Engineering Applications in the Last Three Decades: A Scientometric and Retrospective Review

Trends of Chemical Engineering Applications in the Last Three Decades: A Scientometric and Retrospective Review

Ionic double-shell magnetic covalent organic framework for sharp and fast adsorption of critical metals

The recovery of critical metals (CMs) from waste streams has garnered increasing attention in recent years due to their increased demand, engineering applications, and vulnerability to supply disruptions. Herein, we synthesize two novel ionic materials, namely GIEC704a (magnetic covalent organic framework consisting of Fe3O4/TAGH-Dha) and GIEC704b (double-shell magnetic material formed of Fe3O4/TAGH-Dha/TpPa) using the solvothermal method for the recovery of CMs. The experimental data supported Langmuir's isotherm model, and the results showed that both GIEC704a and GIEC704b exhibited remarkable adsorption capacities (qmax). GIEC704a exhibited adsorption capacities of 1531.8, 884.9, and 729.9 mg/g, while GIEC704b had 1681.5, 854.7, and 800 mg/g (Al3+, Fe3+ and Cu2+) capacities, respectively. Furthermore, GIEC704a and GIEC704b demonstrated approximately 80 % adsorption of REEs with high adsorption capacities of 53.6, 52.3, 41.2 mg/g and 55.3, 55.4, and 43.4 mg/g (Lanthanum, Yttrium, and Neodymium), respectively with excellent selectivity. The large surface areas of GIEC704a and GIEC704b—147.9 m2/g and 2143.1 m2/g, respectively—explain their excellent performance. The results of the kinetic study support the pseudo-second-order model with a high coefficient of (R2 = 0.9999), and an efficiency of over 90 % was achieved within 5 min. The findings of the thermodynamic analysis indicated that the adsorption process was spontaneous and endothermic. Furthermore, the outstanding reusability of GIEC704a and GIEC704b confirmed their suitability for environmental chemical engineering and industrial applications.

Fabrication of rod-like boronate affinity imprinted covalent organic frameworks (COFs) interconnected with polyHIPEs for selective high-flux separation of flavoniods

Functioned covalent organic frameworks (COFs) have attracted tremendous attentions in the separation fields. Nonetheless, the application of COFs sorbents under complex flavoniod separation conditions still confronts many difficulties. Herein, for the fist time, the rod-shaped COFs molecular imprinted polymers (RCOFs-SH@BA-MIPs) with abundant hydrophilic boronate affinity imprinted recognition sites were synthesized. The obtained rod-shaped COFs-MIPs were firstly used to stabilized Pickering HIPEs, which greatly enhanced flavoniod molecules transport in hierarchically porous polymers. Meanwhile, the HPs@RCOFs-SH@BA-MIPs sorbents exhibited the promising contact angle (112.52°) owing to the introduction of hydrophilic boronic acid imprinted recognizing site. The resulting HPs@RCOFs-SH@BA-MIPs sorbents showed excellent adsorption capacity (49.0 µmol g−1) in phosphate acetic acid/water solution (T = 303 K, pH = 8.0, v/v, 9/1) and selectivity (superior to 1.19). At the same time, HPs@RCOFs-SH@BA-MIPs exhibited a fast adsorption kinetics for NRG (180 min). In addition, the HPs@RCOFs-SH@BA-MIPs sorbents showed excellent stability (94.9 %) after six cycles. The effective extraction rate of commercial NRG treatment with HPs@RCOFs-SH@BA-MIPs were as high as 91.0 %. Abundant boronate affinity imprinted recognition sites played an important role in the adsorption of NRG, and emulsion interfacial polymerization strategy avoided the leakage of nanosize-imprinted adsorbents (HPs@RCOFs-SH@BA-MIPs). Finally, the promising experimental results and the convenient synthesis process indicate that HPs@RCOFs-SH@BA-MIPs have great potential for application in specific separation, agricultural environment, chemical engineering and other field.

Electrohydrodynamic peristaltic microfluidic flow with thermal and molecular analysis featuring sloped configurations

This study examines the simultaneous impacts of thermal and molecular transfer of non-Newtonian fluid propelled by the collective impact of electroosmosis and peristaltic pumping via inclined channel. Internal frictional heating and heat generation are also taken into consideration. The electrohydrodynamic phenomenon is described by the nonlinear Poisson–Boltzmann equation. The problem is modulated mathematically through a system of coupled non-linear differential equations in wave frame of reference. Using the regular perturbation method around a small wave number δ, we obtain sequential solutions for stream function ψ, electric potential ϕ, velocity u, pressure gradient dpdx, temperature θ and concentration Ω distributions. The influences of newly arising parameters such as the electroosmotic parameter me, relaxation time parameter λ1, retardation time parameter λ2, wave number δ, Reynold’s number Re, heat generation parameter β, Prandtl number Pr, Schmidt number Sc, Froude number Fr and Soret number Sr on physical characteristics are analyzed graphically. There is an inverse correlation between the parameters of relaxation time and retardation time and their effects on axial velocity, concentration, and temperature distributions. In particular, the temperature of the fluid increases as the EDL parameter, relaxation time parameter, viscous dissipation parameter, and Reynolds number increase, but decreases as the retardation time parameter increases. Moreover, the axial pressure gradient increases as Reynolds number and inclination angle increase, while it decreases as Froude number increases. The current model has applicability in the chemical industry, reservoir engineering, micro-fabrication, and biomedical applications, where electroosmotic effects on heat and mass movement are crucial.

A stochastic model based on Gaussian random fields to characterize the morphology of granular objects

The geometrical modeling of granular objects is a complex challenge that exists in many scientific fields, such as the modeling of granular materials or rocks and coarse aggregates with applications in civil, mechanical, and chemical engineering. In this paper, a model called SPHERE (Stochastic Process for Highly Effective Radial Expansion) is proposed, which is based on the deformation of an ellipsoid mesh using multiple 3D Gaussian random fields. The model is designed to be flexible (full control over 2D and 3D morphological properties of granular objects), ultra-fast (over 1000 aggregates in less than 5 s), and independent of the mesh and base shape used (as long as it is a star-shaped object). The flexibility of the model and its ability to reflect real data is illustrated using images of latex nanoparticle aggregates. Using 2D measurements on images from a morphogranulometer, a method based on the SPHERE model is proposed to estimate the 3D morphological properties of aggregates. A multiscale optimization process is applied, in particular using a partial reconstruction of 2D shapes from elliptic Fourier descriptors, in order to best reproduce the shape, angularity and texture of the aggregates using the SPHERE model. Validation of the method on 3D printed data shows relative errors of less than 3% for all measured 2D and 3D morphological characteristics, and validation on a population of synthetic objects shows relative errors of less than 6%. The results are compared and discussed with those obtained using other models based on overlapping spheres and show consistency with previous work. Finally, suggestions for improvement are given.

Numerical investigation on pool boiling heat transfer with trapezoidal/inverted trapezoidal micro-pillars using LBM

Pool boiling with high-efficient heat transfer process is crucial to chemical engineering, nuclear engineering, electronic cooling, and other energy conversion applications. Surface modification technology has attracted more attention in recent years as a simple and reliable boiling enhancement technique. Most of the studies using surface modification technology have focused on the enhancement effect of rectangular micro-structures, only a few researchers have adequately investigated the enhancement effects on pool boiling heat transfer and mechanisms of other complex micro-structures (like circle, trapezoid, or inverted trapezoid). In the present study, the pool boiling processes on surfaces with trapezoidal/inverted trapezoidal micro-pillars were numerically investigated using lattice Boltzmann method (LBM). The bubble dynamics and heat transfer characteristics during the pool boiling processes on surfaces with different pillar bottom angles (30° ≤ θ ≤ 135°) were compared under different wall-superheat conditions. The orthogonal tests were adopted on micro-pillars to optimize the geometric parameters, including the bottom angle of the micro-pillar, the bottom width of the micro-pillar, the number of the micro-pillar, and the height of the micro-pillar. A new CHF correlation on the mixed wettability surface with trapezoidal/inverted trapezoidal micro-pillars was proposed. It can be found that the main mechanism of nucleate boiling heat transfer on the micro-pillars is the evaporation of the microlayer, and the pillar bottom angle reveals a remarkable effect on the pool boiling performance on the mixed wettability surfaces. The surface of θ = 135° has the minimum wall-superheat at the onset of nucleate boiling (ONB). Within a wide range of wall-superheat conditions, the heat transfer efficiency of pool boiling firstly increases with the increasing of the bottom angle of the micro-pillar and subsequently decreases. The surface of θ = 60° has the highest critical heat flux (CHF). The surface of θ = 90° has the highest heat transfer efficiency in the film boiling process. The results of orthogonal tests suggested that the bottom angle of the micro-pillar is the most significant influential factor, and the optimal geometrical combinations were proposed. The new CHF correlation has acceptable accuracy in predicting the CHF on surfaces with trapezoidal/inverted trapezoidal pillars, which provides guidance for the design and optimization of micro-structured surface modification in various pool boiling applications.

Explainable AI models for predicting drop coalescence in microfluidics device

In the field of chemical engineering, understanding the dynamics and probability of drop coalescence is not just an academic pursuit, but a critical requirement for advancing process design by applying energy only where it is needed to build necessary interfacial structures, increasing efficiency towards Net Zero manufacture. This research applies machine learning predictive models to unravel the sophisticated relationships embedded in the experimental data on drop coalescence in a microfluidics device. Through the deployment of SHapley Additive exPlanations values, critical features relevant to coalescence processes are consistently identified. Comprehensive feature ablation tests further delineate the robustness and susceptibility of each model. Furthermore, the incorporation of Local Interpretable Model-agnostic Explanations for local interpretability offers an elucidative perspective, clarifying the intricate decision-making mechanisms inherent to each model’s predictions. As a result, this research provides the relative importance of the features for the outcome of drop interactions. It also underscores the pivotal role of model interpretability in reinforcing confidence in machine learning predictions of complex physical phenomena that are central to chemical engineering applications.

Temperature-dependent differential capacitance of an ionic liquid-graphene-based supercapacitor.

One of the critical factors affecting the performance of supercapacitors is thermal management. The design of supercapacitors that operate across a broad temperature range and at high charge/discharge rates necessitates understanding the correlation of the molecular characteristics of the device (such as interfacial structure and inter-ionic and ion-electrode interactions) with its macroscopic properties. In this study, we use molecular dynamics (MD) simulations to investigate the influence of Joule heating on the structure and dynamics of the ionic liquid (IL)/graphite-based supercapacitors. The temperature-dependent electrical double layer (EDL) and differential capacitance-potential (CD-V) curves of two different ([Bmim][BF4] and [Bmim][PF6]) IL-graphene pairs were studied under various thermal gradients. For the [Bmim][BF4] system, the differential capacitance curves transition from 'U' to bell shape under an applied thermal gradient (∇T) in the range from 3.3 K nm-1 to 16.7 K nm-1. Whereas in [Bmim][PF6], we find a positive dependence of differential capacitance with ∇T with a U-shaped CD-V curve. We examine changes in the EDL structure and screening potential (ϕ(z)) as a function of ∇T and correlate them with the trends observed in the CD-V curve. The identified correlation between the interfacial charge density and differential capacitance with thermal gradient would be helpful for the molecular design of the IL-electrode interface in supercapacitors or other chemical engineering applications.

Preparation and evaluation of hydroxyethyl cellulose–based functional polymer for highly efficient utilization of heavy oil under the harsh reservoir environments

Emulsification viscosity reduction and subsequent demulsification are effective strategies to improve the utilization rate of heavy oil. However, traditional surfactants are challenged by unsatisfactory salt tolerance, inadequate stability in emulsification, difficulty in demulsification and pollution problem of oily wastewater discharge. To realize the feasibility and environment-friendliness of heavy oil utilization in the harsh reservoir environments, we designed a functional polymer and conducted a comprehensive evaluation using heavy oil samples from Chenping oil well in Shengli Oilfield. It was synthesized by grafting two hydrophobic monomers, lauryl methacrylate (LMA) and N, N–Diethylaminomethyl methacrylate (DEAEMA), onto the hydrophilia hydroxyethyl cellulose (HEC) by free–radical polymerization. The viscosity reduction rate can reach 99.57 % even under the high salinity of 26,050 mg/L. The stable oil–in–water (O/W) emulsion can be maintained for >48 h, satisfying the actual requirements for heavy oil recovery. Moreover, the emulsion can be completely demulsified in a CO2 atmosphere within 30 min, suggesting its satisfactory demulsification performance. Our study achieved the one–step transformation of heavy oil emulsion between emulsification and demulsification, which provides a green bio–based material and an ingenious strategy for enhanced oil recovery and other chemical engineering applications including oil/water separation.

Generalized Michaelis-Menten rate law with time-varying molecular concentrations.

The Michaelis-Menten (MM) rate law has been the dominant paradigm of modeling biochemical rate processes for over a century with applications in biochemistry, biophysics, cell biology, systems biology, and chemical engineering. The MM rate law and its remedied form stand on the assumption that the concentration of the complex of interacting molecules, at each moment, approaches an equilibrium (quasi-steady state) much faster than the molecular concentrations change. Yet, this assumption is not always justified. Here, we relax this quasi-steady state requirement and propose the generalized MM rate law for the interactions of molecules with active concentration changes over time. Our approach for time-varying molecular concentrations, termed the effective time-delay scheme (ETS), is based on rigorously estimated time-delay effects in molecular complex formation. With particularly marked improvements in protein-protein and protein-DNA interaction modeling, the ETS provides an analytical framework to interpret and predict rich transient or rhythmic dynamics (such as autogenously-regulated cellular adaptation and circadian protein turnover), which goes beyond the quasi-steady state assumption.