Results 181 to 190 of about 23,738 (260)

A practical electrodialysis model for accelerating system development

open access: yesAIChE Journal, EarlyView.
Abstract Empirical optimization of electrodialysis (ED) is dependent on repetitive experiments with incremental adjustments, which is cost prohibitive at scale. While models can reduce the costs associated with optimization and scale‐up, existing ED models are limited in application to specific use cases and tend to be developed for the exploration of ...
Smith Pittman   +3 more
wiley   +1 more source

Synthesis of functionalized polyolefins in a new continuous bench‐scale reactor apparatus

open access: yesAIChE Journal, EarlyView.
Abstract In‐reactor functionalized polyolefins (FPOs), produced by molecular catalysts, are a new class of polymer materials with applications ranging from high performance adhesives to bitumen compatibilization. In this work, we disclose a procedure for the synthesis of FPOs in a new Continuous Bench‐scale Reactor Apparatus (COBRA).
Miloud Bouyahyi   +7 more
wiley   +1 more source

Comparison of DeePMD, MTP, GAP, ACE and MACE Machine‐Learned Potentials for Radiation‐Damage Simulations: A User Perspective

open access: yesAdvanced Intelligent Discovery, EarlyView.
The authors evaluated six machine‐learned interatomic potentials for simulating threshold displacement energies and tritium diffusion in LiAlO2 essential for tritium production. Trained on the same density functional theory data and benchmarked against traditional models for accuracy, stability, displacement energies, and cost, Moment Tensor Potential ...
Ankit Roy   +8 more
wiley   +1 more source

AI‐Guided Co‐Optimization of Advanced Field‐Effect Transistors: Bridging Material, Device, and Fabrication Design

open access: yesAdvanced Intelligent Discovery, EarlyView.
This article outlines how artificial intelligence could reshape the design of next‐generation transistors as traditional scaling reaches its limits. It discusses emerging roles of machine learning across materials selection, device modeling, and fabrication processes, and highlights hierarchical reinforcement learning as a promising framework for ...
Shoubhanik Nath   +4 more
wiley   +1 more source

Multi‐Property Machine Learning Models to Accelerate the Transition Toward Bio‐Based Emulsion Polymers

open access: yesAdvanced Intelligent Discovery, EarlyView.
A machine learning framework simultaneously predicts four critical properties of monomers for emulsion polymerization: propagation rate constant, reactivity ratios, glass transition temperature, and water solubility. These tools can be used to systematically identify viable bio‐based monomer pairs as replacements for conventional formulations, with ...
Kiarash Farajzadehahary   +1 more
wiley   +1 more source

Palladacarboxamide Capping Reagents for Carbon Isotope Labeling and Pharmaceutical Diversification

open access: yesAngewandte Chemie, EarlyView.
Herein, we present a method for carbon isotope labeling of arylamides via the coupling of air‐stable palladium carboxamide complexes and boronic ester/acids. A wide variety of functionalized boronic esters and acids have been coupled with simple palladium carboxamides complexes.
Daniel V. Hoffmann   +8 more
wiley   +1 more source

Toward Multi(radio)metalated DNA: Enzymatic Polymerization of Metal‐Chelate‐Modified Deoxyribonucleoside Triphosphates

open access: yesAngewandte Chemie, EarlyView.
This work presents the first enzymatic polymerization of defined metal‐chelator‐modified nucleotides that leverage polymerase fidelity for uniform (radio)metal loading with successful incorporation of five different metals: Ga, In, Tb, Lu, and Y.
Antonio A. W. L. Wong   +2 more
wiley   +1 more source

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