November 2020 | AIChE

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November 2020

Efficiency Limits of Underwater Solar Cells: An Excellent Application for Wide-Band-Gap Semiconductors?

Conference Presentation
AIChE Annual Meeting
November 18, 2020
Operation of underwater vehicles and autonomous systems is currently limited by the lack of long-lasting power sources. These systems could...

Prediction of Entire Tablet Compositions from Pure Powder Spectra Using a Nonlinear Iterative Optimization Method

Conference Presentation
AIChE Annual Meeting
November 18, 2020
Process analytical technology in the pharmaceutical industry often requires monitoring of critical quality attributes (CQA) through calibrated models...

Lignin-Based Drop-in Jet Fuel Production

Conference Presentation
AIChE Annual Meeting
November 18, 2020
Sustainable aviation fuels remain the only near-, mid-, and likely long-term solution for lowering the carbon emissions of commercial and military...

Approaching Coupled Cluster Accuracy with a General-Purpose Neural Network Potential

Conference Presentation
AIChE Annual Meeting
November 18, 2020
In this talk, we will present a fully transferable deep learning potential that is applicable to complex and diverse molecular systems well beyond...

Electronic and Electrochemical Characteristics of Pt Monolayer on Graphene and Its Electrochemical Properties

Conference Presentation
AIChE Annual Meeting
November 18, 2020
Epitaxially grown Pt thin film on a graphene template is found to have a few monolayer thickness with structural stability comparable to Pt(111)...

Nanoalloy Catalysts for Boosting H2 Production from Hcooh Decomposition: A First-Principles Study

Conference Presentation
AIChE Annual Meeting
November 18, 2020
The oxidation of small organic molecules has been widely studied owing to fundamental interest and relevance to fuel technology. Among these...

Multiscale Analysis for Power-to-Gas-to-Power Facilities. Technical and Social Issues of Substituting Base Load

Conference Presentation
AIChE Annual Meeting
November 18, 2020
Solar and wind can easily provide the world’s energy demand. However, the variability of both sources makes it difficult to use...

Nature-Inspired Self-Cleaning Surfaces: Mechanisms, Modelling, and Manufacturing

Conference Presentation
AIChE Annual Meeting
November 18, 2020
Nature-inspired self-cleaning surfaces have attracted considerable attention from both fundamental research and practical applications. Around 2005,...

Atomically Precise Design of Heterogeneous Catalysts for Enhanced Pairwise Selective Addition of Parahydrogen to Unsaturated Hydrocarbons

Conference Presentation
AIChE Annual Meeting
November 18, 2020
Well-defined shapes are superior in catalysis studies as they enable investigations on catalytic activities down to surface facet level. Here, a...

Utilization of Advanced Analytics to Monitor Catalyst Health in an Ethylene Oxide Reactor

Conference Presentation
AIChE Annual Meeting
November 18, 2020
Ethylene oxide (EO), a precursor to ethylene glycol (EG), is produced through elective oxidation of ethylene and oxygen in the presence of an Ag...

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