Results 171 to 180 of about 285,228 (311)

Modulation of Local Environment for Selective Bicarbonate Conversion to Multi‐Carbon Products

open access: yesAdvanced Energy Materials, EarlyView.
Highly porous Cu electrode partially coated with an ionomer/carbon composite enables efficient conversion of bicarbonate to multi‐carbon products. By regulating the local reaction microenvironment, this strategy overcomes selectivity and reaction‐rate limitations, achieving Faradaic efficiencies of 43% for ethylene and 60% for total multi‐carbon ...
Tai Nguyen   +15 more
wiley   +1 more source

From continuous to interruptible distillation: Flexible electric heating column architecture with fast start‐up

open access: yesAIChE Journal, EarlyView.
Abstract Electrification of distillation offers a promising route to reducing scope‐1 emissions from one of the chemical industry's most energy‐intensive unit operations. However, conventional adiabatic columns are dynamically inflexible: Long, energy‐intensive start‐ups make shutdown and restart impractical under variable electricity prices and ...
Samuel Mercer, Michael Baldea
wiley   +1 more source

Perimeter‐intensified inverse Zr‐Co oxygen carrier for biomass chemical‐looping gasification with high CO selectivity

open access: yesAIChE Journal, EarlyView.
Abstract Chemical‐looping gasification (CLG) offers a promising route for renewable biomass valorization, yet conventional oxygen carrier regeneration with O₂/H₂O is energy‐intensive and often produces low‐quality syngas. Here, we develop an inverse ZrO2/Co3O4 oxygen carrier that enables selective biochar oxidation and efficient lattice‐oxygen transfer
Junling Gao   +9 more
wiley   +1 more source

SigmaFormer: Augmenting transformer encoders with COSMO sigma profiles for pure component property prediction

open access: yesAIChE Journal, EarlyView.
Abstract Transformer‐based molecular models pretrained on SMILES strings demonstrate strong performance in property prediction. However, these model often lack explicit integration of molecular surface charge distributions that govern intermolecular interactions such as hydrogen bonding and polarity.
Tae Hyun Kim   +2 more
wiley   +1 more source

Topology‐Aware Machine Learning for High‐Throughput Screening of MOFs in C8 Aromatic Separation

open access: yesAdvanced Intelligent Discovery, EarlyView.
We screened 15,335 Computation‐Ready, Experimental Metal–Organic Frameworks (CoRE‐MOFs) using a topology‐aware machine learning (ML) model that integrates structural, chemical, pore‐size, and topological descriptors. Top‐performing MOFs exhibit aromatic‐enriched cavities and open metal sites that enable π–π and C–H···π interactions, serving as ...
Yu Li, Honglin Li, Jialu Li, Wan‐Lu Li
wiley   +1 more source

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