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...

Forecasting Prices of Energy Feedstocks and Commodities Using Advanced Statistical and Machine Learning Methods

Conference Presentation
AIChE Annual Meeting
November 18, 2020
The prices of energy products and commodities are volatile [1] and sensitive to shifts in demand and supply mechanisms, technological breakthroughs,...

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...

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...

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...

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)...

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...

Electrodeposited Co-Mo-P-TiO2 Composite Electrocatalysts for the Hydrogen Evolution Reaction

Conference Presentation
AIChE Annual Meeting
November 18, 2020
Aiming to improve the efficacy of earth abundant electrocatalysts for water splitting, novel Co-Mo and Co-Mo-P composites with TiO 2 were...

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