Issue Information ‐ Table of Contents
(Source: AIChE Journal)
Source: AIChE Journal - January 19, 2024 Category: Science Tags: ISSUE INFORMATION ‐ TABLE OF CONTENTS Source Type: research
Enhanced azeotropic C2ClF5/C3F8 separation by TMA+ exchanged MFI zeolites for ultrapure fluorine electronic gas
AbstractThe demand for the azeotropic C2ClF5/C3F8 separation continues to rise owing to the significance of ultrapure fluoride gases for the electronic industry. With a boiling point differential of 1.1 K, separating an azeotropic mixture of C2ClF5/C3F8 through sorption-based processes under ambient conditions is a preferable alternative to the current energy-intensive cryogenic separation method. Here, we report the highly efficient C2ClF5/C3F8 adsorption separation in quaternary alkylammonium ions modified MFI type zeolites with interlaced channels which provide a cooperative effect conferred by specific interaction s...
Source: AIChE Journal - January 8, 2024 Category: Science Authors: Xiaoying Zhou,
Ying Wu,
Zewei Liu,
Xingjie Wang,
Cuiting Yang,
Jian Yu,
Jing Xiao Tags: RESEARCH ARTICLE Source Type: research
A novel symmetrically structured protonated ionic liquids for alkane de ‐aromatization
AbstractThe efficient separation of aromatics/alkanes is important for the efficient utilization of fossil resources. Based on the influence of ionic symmetry structure on the polarity, melting point, interaction force, and spatial site resistance of ionic liquid solvents, a protonic ionic liquid with anionic and cationic double symmetry structure [DMI][FeCl4] was designed and synthesized for alkane de-aromatization process, which enhances the Van der Waals forces dominated by dispersed forces with aromatics, and thus enhances the extraction efficiency of aromatic. For the binary system of dodecane/decalin + tetralin/1-met...
Source: AIChE Journal - January 7, 2024 Category: Science Authors: Chuanqi Geng,
Xiaojia Wu,
Dongyu Jin,
Chencan Du,
Yuming Tu,
Zhiyong Zhou,
Zhongqi Ren Tags: RESEARCH ARTICLE Source Type: research
Anisotropic electro ‐driven phase change materials inspired by biological structure
AbstractElectro-driven phase change materials (PCMs) can effectively realize electrothermal conversion and storage and have attracted much attention in the fields of electrothermal therapy and thermal management of electronic devices. How to effectively reduce the leakage current risk of it is a core problem in the application process. In this work, we used carbon fibers and boron nitride to mimic the microstructure of Greta oto butterfly's wing, and composite it with a form-stable PCM-PPEGMA to obtain a thermally conductive enhanced anisotropic electro-driven PCM. The material exhibits high electrothermal conversion and s...
Source: AIChE Journal - January 7, 2024 Category: Science Authors: Zhaoying Jia,
Zaichao Li,
Xuan Wang,
Caishuo Hu,
Bingtao Tang,
Shufen Zhang,
Yuang Zhang Tags: RESEARCH ARTICLE Source Type: research
Investigating the influence of particle distribution on force and torque statistics using hierarchical machine learning
This article attempts to address this bottleneck by availing relatively inexpensive deep learning models. The surrogate models that we employ in this article use a physics-based hierarchical framework and symmetry-preserving neural networks to achieve robustness with limited training data. This article first performs additional generalizability tests on PR data of distinct distributions that are not involved in the training process. The models are then deployed on several different particle distributions. Impact of clustering and structure on the observed statistics are investigated. (Source: AIChE Journal)
Source: AIChE Journal - January 7, 2024 Category: Science Authors: B. Siddani,
S. Balachandar,
Jiazhong Zhou,
Shankar Subramaniam Tags: RESEARCH ARTICLE Source Type: research
Data ‐driven decision‐focused surrogate modeling
AbstractWe introduce the concept of decision-focused surrogate modeling for solving computationally challenging nonlinear optimization problems in real-time settings. The proposed data-driven framework seeks to learn a simpler, for example, convex, surrogate optimization model that is trained to minimize thedecision prediction error, which is defined as the difference between the optimal solutions of the original and the surrogate optimization models. The learning problem, formulated as a bilevel program, can be viewed as a data-driven inverse optimization problem to which we apply a decomposition-based solution algorithm ...
Source: AIChE Journal - January 5, 2024 Category: Science Authors: Rishabh Gupta,
Qi Zhang Tags: RESEARCH ARTICLE Source Type: research
Accounting for costs in attainable ‐region‐based reactor–separation network synthesis: Models, tradeoffs, and insights
AbstractIn reaction engineering, the attainable region defines the set of all possible states attainable in the outlet stream of any steady-state reactor network, given specified feed and reaction kinetics. Costs in approaches that aim to determine the attainable region are often neglected, resulting in targets that require expensive processes. In this work, we propose modeling methods that allow us to account for costs in reactor –separation synthesis while accurately identifying the attainable region. Our goal is to holistically analyze cost trade-offs within the attainable region as well as provide a method to obtain ...
Source: AIChE Journal - January 5, 2024 Category: Science Authors: Arthur E. Pastore de Lima,
Joonjae Ryu,
Christos T. Maravelias Tags: RESEARCH ARTICLE Source Type: research
Discovery of anion ‐pillared metal–organic frameworks for efficient SO2/CO2 separation via computational screening
AbstractAdsorptive removal of SO2 from its low-concentrated gas mixtures is significant to the health and environment. However, the on-demand discovery of such adsorbents remains a great challenge. Herein, a high-throughput computational screening for SO2/CO2 separation is performed in an anion-pillared metal –organic framework (MOF) database. As a proof-of-concept, SIFSIX-7-Cu, one of the computationally top-ranked MOFs, is identified and experimentally synthesized for the verification. The high SO2 uptake (14.7 mmol g−1), IAST selectivity (120 for a mixture of 0.2/99.8 molar ratio), and excellent balance between...
Source: AIChE Journal - January 4, 2024 Category: Science Authors: Jiahao Ren,
Wenjiang Zeng,
Yunpan Ying,
Dahuan Liu,
Qingyuan Yang Tags: RESEARCH ARTICLE Source Type: research
Accounting for costs in attainable ‐region‐based reactor–separation network synthesis: Models, tradeoffs, and insights
AbstractIn reaction engineering, the attainable region defines the set of all possible states attainable in the outlet stream of any steady-state reactor network, given specified feed and reaction kinetics. Costs in approaches that aim to determine the attainable region are often neglected, resulting in targets that require expensive processes. In this work, we propose modeling methods that allow us to account for costs in reactor –separation synthesis while accurately identifying the attainable region. Our goal is to holistically analyze cost trade-offs within the attainable region as well as provide a method to obtain ...
Source: AIChE Journal - January 4, 2024 Category: Science Authors: Arthur E. Pastore de Lima,
Joonjae Ryu,
Christos T. Maravelias Tags: RESEARCH ARTICLE Source Type: research
Discovery of anion ‐pillared metal–organic frameworks for efficient SO2/CO2 separation via computational screening
AbstractAdsorptive removal of SO2 from its low-concentrated gas mixtures is significant to the health and environment. However, the on-demand discovery of such adsorbents remains a great challenge. Herein, a high-throughput computational screening for SO2/CO2 separation is performed in an anion-pillared metal –organic framework (MOF) database. As a proof-of-concept, SIFSIX-7-Cu, one of the computationally top-ranked MOFs, is identified and experimentally synthesized for the verification. The high SO2 uptake (14.7 mmol g−1), IAST selectivity (120 for a mixture of 0.2/99.8 molar ratio), and excellent balance between...
Source: AIChE Journal - January 4, 2024 Category: Science Authors: Jiahao Ren,
Wenjiang Zeng,
Yunpan Ying,
Dahuan Liu,
Qingyuan Yang Tags: RESEARCH ARTICLE Source Type: research
