Ionic liquid binary mixtures: Machine learning ‐assisted modeling, solvent tailoring, process design, and optimization
AbstractThis work conducts a comprehensive modeling study on the viscosity, density, heat capacity, and surface tension of ionic liquid (IL)-IL binary mixtures by combining the group contribution (GC) method with three machine learning algorithms: artificial neural network, XGBoost, and LightGBM. A large number of experimental data from reliable open sources is exhaustively collected to train, validate, and test the proposed ML-based GC models. Furthermore, the Shapley Additive Explanations technique is employed to quantify the influential factors behind all the studied properties. Finally, these ML-based GC models are seq...
Source: AIChE Journal - February 13, 2024 Category: Science Authors: Yuqiu Chen,
Sulei Ma,
Yang Lei,
Xiaodong Liang,
Xinyan Liu,
Georgios M. Kontogeorgis,
Rafiqul Gani Tags: RESEARCH ARTICLE Source Type: research
Role of mechanotransduction on decision making for treatment of chronic wounds
The objective of this study is to take an initial step to determine and interpret the extents to which biophysical wound dressing properties impact mechanotransduction within a wound tissue. Current experimental techniques make it challenging to investigate many of the complexities of the wound healing process. Thus, the purpose of this study is to begin with computational models and theoretical descriptions that propose predictions and explanations of the role of various mechanical wound dressing characteristics on mechanotransduction in wound tissues. Three-dimensional models of wound tissue and wound dressings have been...
Source: AIChE Journal - February 12, 2024 Category: Science Authors: Kelly McElvain,
Sandeep Gopalakrishnan,
Mahsa Dabagh Tags: RESEARCH ARTICLE Source Type: research
Hydrodynamics, mass transfer, and hydrogenation performance of a HiGee ‐aided fixed bed reactor
AbstractMicrobubble shows great potential for hydrogenation reaction in fixed bed reactors (FBRs). However, the lack of understanding of the hydrodynamic behaviors of microbubble swarm in FBR limits the reactor design. In this work, a pilot-scale HiGee-aided fixed bed reactor (HFBR), including a HiGee microbubble generator (HMG) and a catalyst bed, has been developed and then applied for poly alpha olefin 4 (PAO 4) hydrogenation. An empirical correlation of Sauter mean diameter (d32) of microbubbles at the inlet and outlet of catalyst bed was established. The gas holdup (φb) of catalyst bed with HMG was 5 –10 times high...
Source: AIChE Journal - February 12, 2024 Category: Science Authors: Hai ‐Long Liao,
Lan Jiang,
Li‐Hua Wang,
Yong Luo,
Qing‐Feng Tan,
Shou‐Tao Ma,
Jian‐Feng Chen Tags: RESEARCH ARTICLE Source Type: research
Coupling atomic layer deposition with supercritical fluid processing to provide a highly C3H6 ‐selective ZIF‐8 membrane
In this study, a solvent-free protocol was developed for sustainable production of ZIF-8 membranes with exceptional C3H6/C3H8 selectivity through combining atomic layer deposition (ALD) technique with in situ supercritical fluid (SCF) processing. Experimental results indicated that maintaining appropriate deposition number and conducting SCF processing in gas-like supercritical carbon dioxide region were crucial for obtaining ZIF-8 membranes with excellent C3H6/C3H8 selectivity (~185), one of the highest among ZIF-8 membranes reported in the literature. Noteworthy, not only residual 2-methylimidazole ligands along with ven...
Source: AIChE Journal - February 12, 2024 Category: Science Authors: Liangliang Liu,
Wenjing Hu,
Yanwei Sun,
Taotao Ji,
Yongfu He,
Kunpeng Yu,
Mingming Wu,
Gaohong He,
Yi Liu Tags: RESEARCH ARTICLE Source Type: research
Correction to “Quantifying molecular surface barriers and intracrystalline diffusion in nanoporous materials by zero‐length column”
(Source: AIChE Journal)
Source: AIChE Journal - February 12, 2024 Category: Science Tags: CORRECTION Source Type: research
Mapping the path to a net ‐zero chemicals industry by long‐term planning with changes in technologies and climate
AbstractThe chemical industry, along with many other industries, has pledged to reach net-zero emissions within the next few decades for greenhouse gases, plastics, etc. This requires systematic methods to guide investment in technologies and value-chain alternatives, and develop roadmaps. The proposed framework is a multiperiod planning model to guide optimal reforms in cradle-to-cradle life-cycle networks across the pledged time horizon. It aims to meet environmental targets while minimizing the total annualized cost of natural resources and the investment cost associated with adoption of novel technologies. This conside...
Source: AIChE Journal - February 12, 2024 Category: Science Authors: Vyom Thakker,
Bhavik R. Bakshi Tags: RESEARCH ARTICLE Source Type: research
Coral ‐tentacle‐inspired antifouling membrane spacer: A natural solution for biofouling prevention
AbstractFouling of membrane spacers leads to increased pressure drop and reduced lifespan of membrane modules. Cleaning these fouled spacers is challenging due to strong foulant-membrane spacer interactions. To address this issue, we introduce a novel spacer, PP-N-F, inspired by coral's antifouling properties. This spacer features on-demand antifouling capabilities through a sequential growth process of functional polymer brushes on its surface. It not only possesses lower surface free energy characteristics than polypropylene spacers, but also exhibits controllable morphological changes similar to swaying coral tentacles....
Source: AIChE Journal - February 10, 2024 Category: Science Authors: Jiachen Huang,
Xiaotian Lu,
Guoqiang Chen,
Yinhua Wan,
Jianquan Luo Tags: RESEARCH ARTICLE Source Type: research
Enhanced parameter estimation with improved particle swarm optimization algorithm for cell culture process modeling
In this study, we firstly presented a comparative evaluation of particle swarm optimization (PSO), genetic algorithm (GA), and simulated annealing (SA) for parameter estimation and confirmed PSO was the most efficient approach. Then an improved PSO algorithm using second-order oscillation and particle replacement strategies was developed to enhance fitting performance in fed-batch cell culture modeling. The results of fitting and model validation demonstrated that the improved PSO could explore more reasonable parameters and leading to a significantly enhancement in predictive accuracy throughout the entire cell culture pr...
Source: AIChE Journal - February 10, 2024 Category: Science Authors: Zhongwang Fu,
Zheyu Wang,
Gong Chen Tags: RESEARCH ARTICLE Source Type: research
