Optimizing particle morphology: Atomic iron –nitrogen centers with graphitic‐N for highly efficient CO2 electroreduction
AbstractTransition metal-coordinated nitrogen sites on carbon catalysts (M-N-C) hold potential for CO2 electroreduction (CO2ER), but optimal morphology and active sites are unclear. We introduce a novel approach, developing zeolitic imidazolate framework-8 (ZIF-8)-derived carbon catalysts with Fe-N and graphitic-N sites (Fe2-NC) via molecular confinement and thermal activation. Fine-tuning ZIF-8 size and activation temperature yielded 44.98% active N sites. The 300 nm Fe2-NC catalyst displayed outstanding CO2-to-CO conversion, with a 170 mV overpotential and 94.3% Faradaic efficiency at −0.5 V, outperforming stat...
Source: AIChE Journal - March 11, 2024 Category: Science Authors: Yan Li,
Libin Zeng,
Zilin Zhao,
Qinghua Zhang,
Yang Hou Tags: RESEARCH ARTICLE Source Type: research
Coordination ‐mediated atomic metal catalysts for cascaded transformation of β‐O‐4 dimeric model compound into quinoline
AbstractHere, we report the fabrication of atomic-metal catalysts for the facile cascaded transformation of lignin β-O-4 dimeric model compound into quinoline. A series of dual-metal single-atom (SA) moieties (MaC4 and Mb2N6, where Ma and Mb represent two different metal SAs, C and N represent carbon and nitrogen atoms, respectively) are integrated on N-doped carbons with designed compositions and coordination configurations. Characterizations indicate the homogeneous distribution of uniform and modifiable SA sites, over which the electron distribution is significantly polarized due to synergistic interactions. The distin...
Source: AIChE Journal - March 11, 2024 Category: Science Authors: Xin Zhao,
Ruiqi Fang,
Fengliang Wang,
Yingwei Li Tags: RESEARCH ARTICLE Source Type: research
Engineered biodegradable nanopesticides for efficient leaf deposition and plant fungicides
AbstractPesticides are indispensable in agricultural development, but their effectiveness is often hindered by natural factors like rain-off and degradation. Herein, tebuconazole nanopesticides (TEB NPs) with leaf-adhesive, water-stable, and small-sized were successfully prepared by flash nanoprecipitation using the biodegradable polyethylene glycol-b-poly (lactic-co-glycolic acid) as a carrier. The nanopesticides could be efficiently deposited on plant leaves with uniform distribution and exhibited a 14 ° lower contact angle with foliage compared to commercial suspensions. The encapsulation of TEB within the polymer enha...
Source: AIChE Journal - March 11, 2024 Category: Science Authors: Xiaojing Tong,
Jie Tang,
Jia Wang,
Yue Wu,
Zhiyuan Zheng,
Chen Yuan,
A. Basak Kayitmazer,
Ayyaz Ahmad,
Naveed Ramzan,
Jintao Yang,
Qingchun Huang,
Yisheng Xu Tags: RESEARCH ARTICLE Source Type: research
Precise molecular sieving using metal ‐doped ultramicroporous carbon membranes for H2 separation
AbstractBlue hydrogen produced from fossil fuels is recognized as a promising large-scale technology for realizing the hydrogen economy. Membrane-based separation is emerging as a viable alternative to traditional hydrogen purification technologies. Here, we present a facile strategy for fabricating carbon molecular sieve (CMS) hollow fiber membranes containing uniformly dispersed palladium (Pd) nanoparticles. The Pd nanoparticles, anchored in the carbon strands of CMS membranes, induced the carbon matrix toward a more ordered structure arrangement through a synergistic effect of entropy-driven size exclusion and accelerat...
Source: AIChE Journal - March 8, 2024 Category: Science Authors: Guanran Zhao,
Kaixin Wang,
Chuning Fang,
Yixing Wang,
Darui Wang,
Zhen Song,
Linfeng Lei,
Zhi Xu Tags: RESEARCH ARTICLE Source Type: research
High ‐performance BCN‐C heterostructured electrocatalyst derived from covalent triazine frameworks for nitrogen reduction
AbstractDesigning and synthesizing heterostructure-based catalysis combining two-dimensional (2D) materials has attracted enormous attention in materials chemistry, especially for electrocatalysis, due to their tunable electronic properties and structure. In this work, a boron carbon nitride (BCN)-coupled carbon (BCN-C) heterostructure with improved electronic performance was synthesized starting from C- and N-enriched 2D covalent triazine frameworks (CTFs) via a simple thermal transformation process using NaBH4 as the B source. The characterizations results showed that the B released from NaBH4 reacted with N and C in CTF...
Source: AIChE Journal - March 7, 2024 Category: Science Authors: Wenwen Lin,
Gaobo Lin,
Qinlan Luo,
Weiyu Song,
Hao Chen,
Zihao Zhang,
Jing Li,
Jie Fu Tags: RESEARCH ARTICLE Source Type: research
Introduced gas regulating fast and highly exothermic reactions with in situ gas generation in microreactors
AbstractThe oxidation of cyclohexanol/cyclohexanone with nitric acid as a fast and highly exothermic process was hard to control at low molar ratios of oxidant to organic substrate even in microreactors. Process of runaway gas generation was observed due to the local hot spots, which decreased the selectivity of adipic acid. Additional gas was introduced into microreactors before the reaction, changing the previous wave annular flow to the uniform slug flow. Through the microscopic high-speed photography and CFD simulation, it was found that the internal convection made the reactant molecules in the aqueous slug distribute...
Source: AIChE Journal - March 7, 2024 Category: Science Authors: Saier Liu,
Minjing Shang,
Xiao Xue,
Guangxiao Li,
Yuanhai Su Tags: RESEARCH ARTICLE Source Type: research
Confinement and phase engineering boosting 1T phase MoS2/carbon hybrid for high ‐performance capacitive deionization
This study provides new perspectives on designing high-performance MoS2-based CDI electrode materials. (Source: AIChE Journal)
Source: AIChE Journal - March 7, 2024 Category: Science Authors: Yaning Zhang,
Shiyuan Fan,
Siqi Gong,
Huibin Liu,
Huiting Xu,
Junjie Qi,
Honghai Wang,
Chunli Li,
Wenchao Peng,
Jiapeng Liu Tags: RESEARCH ARTICLE Source Type: research
Modeling enzymatic and electrochemical cascade reactions at the three ‐phase interface enzyme electrode
In this study, a mathematical model has been developed to describe intraphase and interphase mass transfer, coupled with cascade reactions. The results reveal that the interfacial architectures determine the mass transfer of oxygen (substrate of oxidase) and H2O2 (enzymatic product) in the cascade reactions, hence affecting the electrode current. Generally, thinner pore walls facilitate the mass transfer of oxygen, thereby enhancing the enzymatic kinetics and H2O2 production. Meanwhile, smaller pore sizes shorten the diffusion pathway of H2O2 to the electrode surface, thereby increasing the electrocatalytic reaction rate. ...
Source: AIChE Journal - March 7, 2024 Category: Science Authors: Siyu Zou,
Jie Xiao,
Xinjian Feng Tags: RESEARCH ARTICLE Source Type: research
T –x diagrams for the CO2–H2O system: The importance of water content in CO2 transportation for carbon capture and storage
AbstractWhen water is present in a CO2 pipeline, corrosion or plugging can occur due to the formation of liquid water or gas hydrate, respectively. Understanding how corrosion and hydrate plugging can be avoided is important for enhanced oil recovery and carbon dioxide capture and storage processes. If the CO2 is sufficiently dried prior to transportation, the formation of these problematic free-water phases can be avoided. In this work, isobaric T –x diagrams were developed from the P–T diagram for the CO2–H2O binary system. Pressures ranging from just below the lower quadruple point to above the lower critical end ...
Source: AIChE Journal - March 5, 2024 Category: Science Authors: Lindsey A. Wadsworth,
Jonathan D. Wells,
E. Dendy Sloan,
Carolyn A. Koh Tags: RESEARCH ARTICLE Source Type: research
Enhanced CO2/N2 separation in hybrid composite membrane via dispersion of hollow defect ‐engineered Zr‐MOF nanoparticles
In this study, we synthesized uniform hollow defect-engineered UiO-66 nanoparticles as filler for enhancing the CO2/N2 separation performance and durability of Pebax-2533 membranes. The existence of missing-linker defects in the framework not only endows HCMs with higher CO2/N2 adsorption selectivity but also provides ultrafast CO2 transport pathways; moreover, hollow structure of UiO-66 not only contributes to better filler dispersibility in polymeric matrix but also reduces CO2 diffusion path length. Obtained HCMs manifest concurrently increased CO2 permeability (3100 Barrer) and CO2/N2 separation factor (44), far exceed...
Source: AIChE Journal - March 4, 2024 Category: Science Authors: Jiahui Yan,
Yanwei Sun,
Taotao Ji,
Mingming Wu,
Shengyan Meng,
Wenwen Dong,
Yi Liu,
Kunpeng Yu,
Wenjing Hu,
Bingbing Sun,
Peng Lu,
Yanshuo Li,
Haoquan Hu,
Yi Liu Tags: RESEARCH ARTICLE Source Type: research
Thermodynamic and molecular mechanisms of ionic liquids for acetylene dehydration
AbstractThe production of acetylene (C2H2) via calcium carbide method is an industrial process commonly used in the production of polyvinyl chloride resin. The dehydration of C2H2 is one crucial aspect. In this work, a novel approach based on ionic liquid (IL) separation was explored. Thermodynamic properties of the IL were predicted using the COSMO-SAC model to screen for an appropriate absorbent. The loss of C2H2 and dehydration performance of IL during dehydration were measured by solubility experiment and laboratory-scale absorption experiment. Quantum chemistry (QC) calculations and molecular dynamics (MD) simulations...
Source: AIChE Journal - March 4, 2024 Category: Science Authors: Fei Zhao,
Minghao Song,
Qinghua Liu,
Yongqiang Cheng,
Hongwei Kang,
Shuqing Liu,
Zhigang Lei Tags: RESEARCH ARTICLE Source Type: research
A data ‐driven Bayesian approach for optimal dynamic product transitions
AbstractIn the processing industry, dynamic product transitions are essential for achieving high product quality, minimizing the use of raw materials and energy and reducing production costs. However, optimizing dynamic product transitions is a challenging task due to the complex dynamics of the process and the uncertainty in the measurements. In this article, a data-driven Bayesian approach for optimal dynamic product transitions is proposed. The proposed approach is based on a dynamic optimization problem that is solved using a Bayesian optimization algorithm. One of the advantages of this approach for process optimizati...
Source: AIChE Journal - March 4, 2024 Category: Science Authors: Antonio Flores ‐Tlacuahuac,
Luis Fabián Fuentes‐Cortés Tags: RESEARCH ARTICLE Source Type: research
Leveraging data ‐driven strategy for accelerating the discovery of polyesters with targeted glass transition temperatures
AbstractTo overcome the limitations of empirical synthesis and expedite the discovery of new polymers, this work aims to develop a data-driven strategy for profoundly aiding in the design and screening of novel polyester materials. Initially, we collected 695 polyesters with their associated glass transition temperatures (Tgs) to develop a quantitative structure –property relationship (QSPR) model. The model underwent rigorous validation (i.e., external validation, internal validation,Y-random, and application domain analysis) to demonstrate its robust predictive capabilities and high stability. Subsequently, by employin...
Source: AIChE Journal - March 4, 2024 Category: Science Authors: Xiaoying He,
Mengxian Yu,
Jian ‐Peng Han,
Jie Jiang,
Qingzhu Jia,
Qiang Wang,
Zheng‐Hong Luo,
Fangyou Yan,
Yin‐Ning Zhou Tags: RESEARCH ARTICLE Source Type: research
Insights into hydrophobicity ‐tuned catalyst microenvironment in gas diffusion electrode for boosting CO2 electrolysis
AbstractCO2 electrolysis to value-added chemicals and fuels shows tremendous potential to store renewable electricity. It features with H2O as the hydrogen source of CO2 electroreduction. Here, we aim at the effect of the hydrophobicity-tuned catalyst microenvironment in gas diffusion electrode (GDE) on boosting CO2 electrolysis. The hydrophobic polytetrafluoroethylene (PTFE) nanoparticles are introduced in the Sn catalyst layer of GDE. The PTFE-modified GDE compared to the non-PTFE electrode delivers a higher HCOOH Faraday efficiency and lower overpotential at current densities of 50 –250 mA cm−2. A two-dimensiona...
Source: AIChE Journal - March 4, 2024 Category: Science Authors: Lei Dong,
Tingting Yu,
Xuedi Sheng,
Wangxin Ge,
Cheng Lian,
Honglai Liu,
Hongliang Jiang,
Chunzhong Li Tags: RESEARCH ARTICLE Source Type: research
Insights of rising bubble dynamics of air ‐blown biomass gasification in bubbling fluidized bed gasifier
AbstractUnderstanding the complex dynamics and spatial distribution of rising bubbles in fluidized bed gasifiers is crucial for designing, optimizing, and scaling up of the reactor. However, existing studies on bubble dynamics mainly focused on cold flow investigations, failing to capture the behavior of bubbles under the influence of chemical reactions and intricate coupling of heat transfer. Therefore, a reactive Lagrangian model is established to explore intricate bubble behaviors during biomass air gasification. The model is well validated with experiment, and the impact of operating parameters including bed temperatur...
Source: AIChE Journal - March 4, 2024 Category: Science Authors: Haoran Sun,
Shiliang Yang,
Guirong Bao,
Hua Wang Tags: RESEARCH ARTICLE Source Type: research
