Construction of core –shell Co@CuCo/Al2O3 catalyst to boost the low‐temperature hydrogenation of 5‐hydroxymethylfurfural
AbstractReducing catalyst costs and reaction energy consumption is a potent way to advance biorefinery energy from fundamental research to industrial implementation. Herein, we developed a series of low-cost CuCo/Al2O3 catalysts for hydrodeoxygenation of 5-hydroxymethylfurfural to biofuel 2,5-dimethylfuran (DMF). Combined characterizations showed CuCo alloy and Co@CuCo core –shell structures were successfully constructed by reducing layered double hydroxides (LDHs) at different temperatures. Detailed catalytic performance studies found that Co@CuCo catalyst achieved a decent DMF yield of 91.7% under 130°C and 1 MPa H2...
Source: AIChE Journal - November 28, 2023 Category: Science Authors: Fengyu Zhang,
Huifang Wu,
Qian Wang,
Dianqing Li,
Junting Feng Tags: RESEARCH ARTICLE Source Type: research
Numerical investigation of oil droplet detachment from wall surface by a microbubble using ternary phase ‐field model
In this study, we investigated the detachment of an oil droplet from a wall surface by microbubbles (MBs) using the numerical simulation of a gas –liquid–liquid three-phase flow based on a phase-field model. A single MB was collided with an oil droplet adhered to a wall surface to determine whether the droplet would detach from the wall. It was confirmed that the oil droplet detached from the wall when the interfacial tension between the water and oil or between the bubble and oil was low. To clarify the mechanism, we theoretically calculated the balance of interfacial tension at the three-fluid contact line. The lower...
Source: AIChE Journal - November 28, 2023 Category: Science Authors: Yuki Yuhara,
Mohammadreza Shirzadi,
Tomonori Fukasawa,
Kunihiro Fukui,
Toru Ishigami Tags: RESEARCH ARTICLE Source Type: research
Simultaneous ozone and hydrogen peroxide electrosynthesis via defect modulation in Ni, Sb ‐doped SnO2 electrocatalysts
This study provides an appealing strategy for simultaneous production of O3 and H2O2 with applications in wastewater treatment. (Source: AIChE Journal)
Source: AIChE Journal - November 28, 2023 Category: Science Authors: Lei Ding,
Wenwen Li,
Mingzhe Xue,
Xiaoge Peng,
Huaijie Shi,
Jia Liu,
Xiaosa Wang,
Chenghang Jiang,
Yufeng Xue,
Shibin Wang,
Xing Zhong,
Jianguo Wang Tags: RESEARCH ARTICLE Source Type: research
Control Lyapunov ‐barrier function‐based safe reinforcement learning for nonlinear optimal control
This article develops a safe reinforcement learning (SRL) algorithm for optimal control of nonlinear systems with input constraints. First, we design a novel performance index function by taking advantage of control Lyapunov-barrier functions (CLBF) with inherent safety and stability properties to ensure closed-loop stability and safety during operation under the optimal control policy. Additionally, since it is challenging to represent the CLBF-based value function as an explicit function of process states, neural networks (NNs) are used to approximate the value function using the process operational data that indicate sa...
Source: AIChE Journal - November 28, 2023 Category: Science Authors: Yujia Wang,
Zhe Wu Tags: RESEARCH ARTICLE Source Type: research
Characterization of the contact dynamics of spheres coated in a thin viscous film using an electrified Newton's cradle
AbstractMeasurement of the contact time for two spheres coated in a thin viscous film are considered. Measurements are performed using a Newton's cradle apparatus with a current passed through the apparatus such that the voltage can be used to infer the separation between the spheres. The spheres are coated with either a nonconductive viscous liquid (silicone oil) or a conductive liquid (glycerol and KCl). Measurement of the sphere-film contact time and sphere-sphere contact time for different film thicknesses and precollisional velocities are presented. Measurements of these contact times are compared to numerical simulat...
Source: AIChE Journal - November 24, 2023 Category: Science Authors: Oscar Punch,
Alex Heenan,
Aaron Marshall,
Daniel J. Holland Tags: RESEARCH ARTICLE Source Type: research
Issue Information ‐ Table of Contents
(Source: AIChE Journal)
Source: AIChE Journal - November 21, 2023 Category: Science Tags: ISSUE INFORMATION ‐ TABLE OF CONTENTS Source Type: research
Synergistic promotions of K doping on CO2 capture and in situ conversion
AbstractThe integrated CO2 capture and conversion (iCCC) technology has been recognized as a promising strategy for upcycling the emitted CO2 into artificial carbon sequestration but still demands highly efficient dual functional materials (DFMs). We develop an efficient iCCC process of the integrated lithium-looping (LiL) and reverse water gas shift reaction through deeply understanding K doping in the novel Kx-Li4SiO4@Niy DFMs. The appropriate K doping enables the fast diffusion of CO2 and H2 into the bulk DFMs through forming LiKCO3 surface eutectic layer as well as strongly interacts with catalyst Ni to generate new me...
Source: AIChE Journal - November 21, 2023 Category: Science Authors: Zhicheng Xie,
Bin Shao,
Zheyi Sun,
Yaqi Shi,
Zihao Gao,
Su Li,
Jingkun Li,
Yi Li,
Honglai Liu,
Jun Hu Tags: RESEARCH ARTICLE Source Type: research
Engineering design of direct ‐air‐capture contactors composed of sorbent particles using numerical simulations
AbstractWe study the transport of CO2 molecules inside direct-air-capture (DAC) contactors made of packed beds of solid-sorbent-particles separated by airgaps using numerical solution of the convection-diffusion and first-order adsorption kinetics equations. We quantify an apparent slowdown in the CO2 uptake in such contactors relative to the CO2 uptake of a high-capacity sorbent particle making the bed. We derive two naturally occurring length-scales associated with the adsorption process: (1) thickness of the sorbent λ¯$$ \overline{\lambda} $$ related to the sorbent chemistry (capacity and adsorption rate constants), p...
Source: AIChE Journal - November 20, 2023 Category: Science Authors: Neeraj Sinai Borker,
Thomas Herdtle,
Cory Sauer,
Ilyess Hadj Romdhane,
Mikhail Pekurovsky Tags: RESEARCH ARTICLE Source Type: research
Numerical study on influence of particle shape and deformation on friction behavior of flexible cylindrical particle flows
AbstractA discrete element method (DEM) model for deformable particles is established and adopted to investigate the Jenike shear process of flexible cylindrical particles with different aspect ratios (4 < Ar$$ Ar $$ < 6). The DEM model is firstly validated against both experimental data and analytic solutions. Then, numerical simulations are carried out and the effects of particles shape and deformation on their friction behavior are investigated through a particle-scale analysis on particle deformation, coord inate number, contact forces, orientation and internal friction angle. Comparative results betwe...
Source: AIChE Journal - November 20, 2023 Category: Science Authors: Yanping Zhu,
Hao Zhang,
Pengyue Guo,
Xizhong An,
Shengqiang Jiang Tags: RESEARCH ARTICLE Source Type: research
Regulating thermal dynamics and gas transport of metal ‐oraganic framework glass through silver composites
AbstractMetal –organic framework (MOF) glass is a versatile and processible material that retains its porous nature while transitioning between liquid and solid states. Incorporating composites into MOF glass can enhance its functionalities, but the effect of the added material on the solid–liquid phase trans ition of MOF glass remains understudied. This research explores the impact of silver ions on the properties of ZIF-62 glass, revealing their influence on phase conversion at varying ligand concentrations. The presence of silver enhances gas separation processes, particularly improving CO2 and hydrocarbon separatio...
Source: AIChE Journal - November 17, 2023 Category: Science Authors: Muhammad Yazid Bin Zulkifli,
Ruiqi Chen,
Rijia Lin,
Yuqi Yao,
Milton Chai,
Dominique Appadoo,
Wupeng Wang,
Zhonghua Zhu,
Kang Liang,
Vicki Chen,
Jingwei Hou Tags: RESEARCH ARTICLE Source Type: research
Shortcut design method for multicomponent gradient simulated moving beds
AbstractThis work describes a method for design (and verification) of isocratic and gradient simulated moving bed (SMB) chromatography, based on the triangle theory. The method is tested using both constant selectivity and nonconstant selectivity isotherms as well as implicit and explicit isotherms through the Linear, Langmuir, and SMA isotherms. The results show that the method is applicable to a wide range of isotherms and to multicomponent systems. The study also investigates the influence of modifier concentrations on gradient SMB performance, by determining the optimal flow rate ratios for calculating volume-specific ...
Source: AIChE Journal - November 16, 2023 Category: Science Authors: Jesper Frandsen,
Jakob K. Huusom,
Krist V. Gernaey,
Jens Abildskov Tags: RESEARCH ARTICLE Source Type: research
Hydrodynamics and model of gas ‐liquid flow in microbubble column reactors
AbstractMicrobubble column reactors (MBCRs) have the significant advantages of high gas holdup, large gas-liquid interfacial area, and excellent mass transfer performance, making them attractive for applications such as hydrogenation and oxidation. However, there is still a lack of comprehensive understanding of the gas-liquid flow behavior in MBCRs. In this work, the effects of gas and liquid superficial velocities on flow regimes, residence time distribution, and gas holdup are investigated. The gas holdup increases linearly with the increase of gas superficial velocity, even in heterogeneous regimes, ranging from 0% to ...
Source: AIChE Journal - November 14, 2023 Category: Science Authors: Bingqi Xie,
Wei Liu,
Yifan Jiang,
Junxin Chen,
Caijin Zhou,
Jisong Zhang Tags: RESEARCH ARTICLE Source Type: research
Enhancing aromatics extraction by double salt ionic liquids: Rational screening ‐validation and mechanistic insights
AbstractDespite offering remarkable advantages as solvents, double salt ionic liquids (DSILs) have been scarcely studied for extractive dearomatization from hydrocarbons as well as many other applications, thus urging a theoretical guidance method. In this work, a systematic framework combining the rational screening validation and mechanistic analysis is proposed for tailoring DSILs for theo-xylene/n-octane separation. From an initial pool of commercially available ionic liquids (ILs), key thermodynamic properties of paired DSILs are predicted by COSMO-RS while their important physical properties are estimated from those ...
Source: AIChE Journal - November 13, 2023 Category: Science Authors: Kunchi Xie,
Jiahui Chen,
Jie Cheng,
Ruizhuang Wang,
Hongye Cheng,
Zhiwen Qi,
Kake Zhu,
Zhen Song Tags: RESEARCH ARTICLE Source Type: research
