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342 records · Page 19

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DOE OSTI2020

System and method for forming activated carbon aerogels and performing 3D printing

Making a carbon aerogel involves 3-D printing an ink to make a printed part, removing the solvent from the printed part, and carbonizing the printed part (with the solvent removed) to make the aerogel. The ink is based on a solution of a resorcinol-formaldehyde resin (RF resin), water, and an organic thickener. Advantageously, the RF resin contains an acid catalyst, which tends to produce carbon aerogels with higher surface areas upon activation than those produced from methods involving an ink composition containing a base catalyzed resin.

36 MATERIALS SCIENCE↗

DOE OSTI2021

MACHINE LEARNING BASED CHEMICAL EXPLOSIVE MODE ANALYSIS (ML-CEMA)

The software consists of a Machine Learning based Chemical Explosive Mode Analysis (ML-CEMA) tool for advanced computational flame diagnostics. CEMA, originally based on eigen-analysis of the local thermochemical system, is capable of identifying reaction fronts and limit phenomena such as auto-ignition and extinction in practical combustion systems, such as internal combustion engines and gas turbine combustors. However, the original CEMA is computationally expensive for large reaction mechanisms that are typically needed to describe fuel chemistry of practical large-hydrocarbon fuels. This novel ML-CEMA tool employs a ML technique to accelerate the eigen-analysis of the basic CEMA approach by orders of magnitude, thus making it suitable for practical fuels. In ML-CEMA,zero-dimensional (0D) reactors and one-dimensional (1D) premixed flames are first used to generate a large number of data points for neural network based ML training. The trained ML model is then used to perform CEMA prediction. This ML-CEMA tool has been demonstrated in canonical 0D and 1D configurations as well as highly-transient three-dimensional spray flames exhibiting multi-mode turbulent combustion, showing promising results. ML-CEMA, as a standalone tool, can be used for computationally-efficient diagnostics of massive datasets generated from both experiments and simulations. For example, based on spatially resolved measurements of a small set of reactive scalars(such as temperature, hydroxyl radical and formaldehyde), ML-CEMA can effectively identify flame fronts and rare events. ML-CEMA also provides a robust online or offline flame feature detection tool. When used for on-the-fly simulations, ML-CEMA further enables zone-adaptive combustion modeling, in which the predicted eigenvalue is used as a robust mode indicator for judicious assignment of locally-valid combustion models. This ML-CEMA based zone-adaptive model can lead to substantial computational cost savings when used for large-scale simulations of multi-mode combustion systems. Third Party Code Web Page to Download Code Web Page Location of Third Party License

Xu, Chao↗

DOE OSTI2022

Methods and systems for methylotrophic production of organic compounds

The present disclosure identifies pathways, mechanisms, systems and methods to confer production of carbon-based products of interest, such as sugars, alcohols, chemicals, amino acids, polymers, fatty acids and their derivatives, hydrocarbons, isoprenoids, and intermediates thereof, in engineered and/or evolved methylotrophs such that these organisms efficiently convert C1 compounds, such as formate, formic acid, formaldehyde or methanol, to organic carbon-based products of interest, and in particular the use of organisms for the commercial production of various carbon-based products of interest.

Shetty, Reshma P.↗

DOE OSTI2023

Bioderived epoxide triazine networks and methods of making the same

The present disclosure relates to a method that includes a first reacting of a first molecule and formaldehyde and/or a paraformaldehyde to form a triazine-containing intermediate and a second reacting of the triazine-containing intermediate with a second molecule having an epoxy group to form a triazine-containing product. As described herein, the triazine-containing product may be bioderived and biodegradable.

Hoyt, Caroline Bradshaw↗

DOE OSTI2025

Approach for High Methanol Substitution by Energy with Conventional and Bio Pilot Fuels

Green methanol is emerging as a promising route to decarbonize the commercial marine industry. However, methanol is not a drop-in fuel in the compression ignition engines that dominate the marine industry because it is difficult to ignite due to its low cetane number and high latent heat of vaporization. The most straight-forward way to use methanol in the compression ignition engines is to premix the methanol, such as with port fuel injection during the intake stroke, and igniting the methanol with a diesel pilot injection. Because diesel fuel is still used in this strategy, it does not fully displace the petroleum diesel fuel. To completely displace the petroleum-derived diesel fuel, this investigation presents experimental results comparing diesel and biodiesel pilot ignition in a dual-fuel strategy with methanol in a marine-variant of a Cat® C18 18 L engine with a 145 mm bore. Engine performance and emissions characteristics are presented that include effects of diesel vs. biodiesel across a series of fuel injection timing and other operating parameters, including intake manifold pressure and engine load. Results presented include in-cylinder pressure and combustion-related findings about heat release, methanol fuel energy substitution rates greater than 75% from 1 to 18 bar BMEP on a single cylinder engine at 1800 RPM. Criteria pollutants including particulate matter, NOx (NO and NO2), unburned fuel, and formaldehyde, as well as the overall BSFC and FSN of the combustion process relative to the baseline diesel operation.

Splitter, Derek [ORNL] (ORCID:0000000174044047)↗

DOE OSTI2021

Group 7 and 8 Catalysts for Electrocatalytic CO 2 Conversion

Group 7 and 8 CO 2 reduction electrocatalysts have seen advances in selective product formation (primarily CO and formate) achieved through structural innovation and fine-tuning of coordination chemistry over the last decade. Furthermore, significant improvements have also been made by involving the secondary ligand coordination sphere in CO 2 reduction. Hydrogen bonding interactions with CO 2 and charged groups in the secondary sphere in particular are shown to lower overpotentials, stabilize intermediates or transition states and improve catalytic rates.

14 SOLAR ENERGY↗

DOE OSTI2024

Reactivity of net-zero carbon alcohol fuels and their corresponding aldehyde intermediates on PGM-based commercial oxidation catalysts for lean-burn emissions control

Alcohol net-zero carbon fuels will play a significant role in decarbonization of the hard-to-electrify transportation sectors. However, the combustion process in alcohol-fueled engines generate toxic aldehydes. For commercialization of net-zero carbon fuels on engines, compliance with the stringent U.S. EPA regulations is necessary. Here, this contribution focuses on reactivity of alcohols and aldehydes on commercial diesel oxidation catalysts (DOC) to inform selection of future net-zero carbon fuels. Alcohol (and aldehyde) light-off temperatures were measured on aged DOCs under full synthetic engine-exhaust conditions. Methanol was the most reactive, while ethanol completely oxidized at higher temperatures. Alcohols typically formed less reactive aldehyde intermediates. DRIFTS revealed strongly adsorbing surface formates and acetates during methanol and ethanol oxidation, respectively, resulting in inhibition effects. Preliminary alcohol oxidation mechanisms combining flow reactor and DRIFTS observations are presented. Aldehydes inhibited CO oxidation. Minimal N 2 O formation was observed for the alcohols investigated.

Alcohol oxidation↗

DOE OSTI2026