Results 161 to 170 of about 62,388 (262)

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

AIChE 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

Thermodynamic and Molecular Characterization of Adsorption on Zeolites: A Unified Framework Combining Inverse Gas Chromatography, Hamaker Theory, and Nonlinear Lewis Acid-Base Modeling. [PDF]

Molecules
Hamieh T, Rachini M, Hamieh S, Assaf MM, Hamie Z, Chawraba K, Roques-Carmes T, Toufaily J.   +7 more
europepmc   +1 more source

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

AIChE 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, Silabrata Pahari, Joseph Sang‐Il Kwon   +2 more
wiley   +1 more source

Resolving passive heat transfer and phase‐change heat in cryogenic CO2 deposition (Desublimation) from CO2/N2 mixtures

AIChE Journal, EarlyView.
Abstract In cryogenic CO2 desublimation systems where phase change dominates both heat transfer and separation, conventional lumped thermal‐resistance treatments embed interfacial latent heat into an overall heat‐transfer coefficient, obscuring how phase‐change heat is partitioned between the gas phase and the coolant and limiting diagnostic insight ...
Shengwen Xiao, Hiroshi Machida, Koyo Norinaga   +2 more
wiley   +1 more source

Enhancing multi-component alloy composition prediction based on generative adversarial networks and proximal policy optimization. [PDF]

Sci Rep
Zhang SL, Bai SB, Shang WJ, Liu Q, Yu P.
europepmc   +1 more source

Population balance modeling and digital design of degree of agglomeration in industrial crystallization

AIChE Journal, EarlyView.
Abstract This study presents a coupled population balance model (PBM) for describing the degree‐of‐agglomeration (DoA) in crystallization by independently tracking total particle and agglomerate number densities. Applied to an industrial active pharmaceutical ingredient, the model outperformed bridge‐counting methods and accurately captured DoA trends ...
Yung‐Shun Kang, Hemalatha Kilari, Neda Nazemifard, C. Benjamin Renner, Yihui Yang, Charles Papageorgiou, Zoltan K. Nagy   +6 more
wiley   +1 more source

Disentangling multistep kinetics by combining electrochemical Arrhenius analysis with micro-kinetic modelling.

Faraday Discuss
Lizée M, Silva Olaya AR, Druce J, Cuenya BR, Oener SZ.   +4 more
europepmc   +1 more source

Reconstitution of woody biomass framework via dual-functional lignin engineering toward efficient and salt-resistant solar desalination. [PDF]

Nat Commun
Wang B, He Y, Yang Z, Sun Q, Zhang X, Shen X, Wen JL, Chen C, Yuan TQ.   +8 more
europepmc   +1 more source

Structured sorbents for Direct Air Capture: The impact of materials and chemicals on performance

AIChE Journal, EarlyView.
Abstract Structured sorbents can efficiently process large air volumes required for Direct Air Capture (DAC), but their broad implementation is limited by challenges in producing reproducible and homogeneous materials. This work presents a robust procedure to graft amines onto monolithic sorbents and systematically investigates how CO2$$ {\mathrm{CO ...
Nicole Ferru, Moritz Bischof, Martina Saporito, David Büchner, Quirin Grossmann, Vincent Dufour‐Décieux, Ronny Pini, André Bardow, Marco Mazzotti   +8 more
wiley   +1 more source