Review on the relationship between liquid aerospace fuel composition and their physicochemical properties
The development of advanced air transportation has raised new demands for high-
performance liquid hydrocarbon fuels. However, the measurement of fuel properties is time …
performance liquid hydrocarbon fuels. However, the measurement of fuel properties is time …
A general guidebook for the theoretical prediction of physicochemical properties of chemicals for regulatory purposes
The REACH regulation (recent EU regulation for “Registration, Evaluation, Authorization,
and Restriction of Chemicals”) entered its product-recording phase after December 2008. 1 …
and Restriction of Chemicals”) entered its product-recording phase after December 2008. 1 …
Machine learning and deep learning in chemical health and safety: a systematic review of techniques and applications
Machine learning (ML) and deep learning (DL) are a subset of artificial intelligence (AI) that
can automatically learn from data and can perform tasks such as predictions and decision …
can automatically learn from data and can perform tasks such as predictions and decision …
Machine learning-based q-RASAR modeling to predict acute contact toxicity of binary organic pesticide mixtures in honey bees
We have reported here a quantitative read-across structure-activity relationship (q-RASAR)
model for the prediction of binary mixture toxicity (acute contact toxicity) in honey bees. Both …
model for the prediction of binary mixture toxicity (acute contact toxicity) in honey bees. Both …
[HTML][HTML] Prediction of CO2 solubility in deep eutectic solvents using random forest model based on COSMO-RS-derived descriptors
This work presents the development of molecular-based mathematical model for the
prediction of CO 2 solubility in deep eutectic solvents (DESs). First, a comprehensive …
prediction of CO 2 solubility in deep eutectic solvents (DESs). First, a comprehensive …
“Data fusion” quantitative read-across structure-activity-activity relationships (q-RASAARs) for the prediction of toxicities of binary and ternary antibiotic mixtures toward …
M Chatterjee, K Roy - Journal of Hazardous Materials, 2023 - Elsevier
Antibiotics are often found in the environment as pollutants. They are usually found as
mixtures in the environment and may produce toxicity against different ecological species …
mixtures in the environment and may produce toxicity against different ecological species …
Transition state theory-inspired neural network for estimating the viscosity of deep eutectic solvents
LY Yu, GP Ren, XJ Hou, KJ Wu, Y He - ACS central science, 2022 - ACS Publications
The lack of accurate methods for predicting the viscosity of solvent materials, especially
those with complex interactions, remains unresolved. Deep eutectic solvents (DESs), an …
those with complex interactions, remains unresolved. Deep eutectic solvents (DESs), an …
Progress in modeling of biomass fast pyrolysis: a review
P Kostetskyy, LJ Broadbelt - Energy & Fuels, 2020 - ACS Publications
Fast pyrolysis of biomass is an important technology in the conversion of lignocellulosic
feedstocks to value-added fuels and chemicals. Significant efforts have been dedicated to …
feedstocks to value-added fuels and chemicals. Significant efforts have been dedicated to …
Electrochemical Modulation of the Flammability of Ionic Liquid Fuels
Flammability and combustion of high energy density liquid propellants are controlled by their
volatility. We demonstrate a new concept through which the volatility of a high energy …
volatility. We demonstrate a new concept through which the volatility of a high energy …
A review of flash point prediction models for flammable liquid mixtures
Flash point has safety implications and is therefore used to ascertain associated explosion
hazards and fire of a flammable solution. Technological advances in the synthesis of new …
hazards and fire of a flammable solution. Technological advances in the synthesis of new …