A general guidebook for the theoretical prediction of physicochemical properties of chemicals for regulatory purposes

C Nieto-Draghi, G Fayet, B Creton, X Rozanska… - Chemical …, 2015 - ACS Publications
The REACH regulation (recent EU regulation for “Registration, Evaluation, Authorization,
and Restriction of Chemicals”) entered its product-recording phase after December 2008. 1 …

Flash point and cetane number predictions for fuel compounds using quantitative structure property relationship (QSPR) methods

DA Saldana, L Starck, P Mougin, B Rousseau… - Energy & …, 2011 - ACS Publications
In the present work, we report the development of models for the prediction of two fuel
properties: flash points (FPs) and cetane numbers (CNs), using quantitative structure …

Density, viscosity, speed of sound, bulk modulus, surface tension, and flash point of binary mixtures of butylbenzene+ linear alkanes (n-decane, n-dodecane, n …

DJ Luning Prak, BG Lee, JS Cowart… - Journal of Chemical & …, 2017 - ACS Publications
This work reports physical property measurements of binary mixtures of butylbenzene with n-
decane, n-dodecane, n-tetradecane, n-hexadecane, or n-heptadecane. Densities and …

[HTML][HTML] Insight of low flammability limit on sustainable aviation fuel blend and prediction by ANN model

Z Liu, X Yang - Energy and AI, 2024 - Elsevier
Sustainable aviation fuel (SAF) blend has been confirmed to benefit for greenhouse gases
reduction, and thus the property of blend fuel should be understanded the detail to support …

Density, Viscosity, Speed of Sound, Bulk Modulus, Surface Tension, and Flash Point of Binary Mixtures of n-Hexadecane + Ethylbenzene or + Toluene at (293.15 to …

DJ Luning Prak, JS Cowart, AM McDaniel… - Journal of Chemical & …, 2014 - ACS Publications
In this work, the physical properties of binary mixtures of n-hexadecane with toluene or
ethylbenzene were measured. Density and viscosity were measured at temperatures …

Density, Viscosity, Speed of Sound, Surface Tension, and Flash Point of Binary Mixtures of n-Hexadecane and 2,2,4,4,6,8,8-Heptamethylnonane and of Algal-Based …

DJL Prak, PC Trulove, JS Cowart - Journal of Chemical & …, 2013 - ACS Publications
The physical properties of algal hydrotreated renewal diesel (algal HRD) and several binary
mixtures of n-hexadecane and 2, 2, 4, 4, 6, 8, 8-heptamethylnonane were measured in this …

Impact of low flash point compounds (hydrocarbons containing eight carbon atoms) on the flash point of jet fuel and n-dodecane

DJL Prak, GR Simms, M Hamilton, JS Cowart - Fuel, 2021 - Elsevier
Fuel flash point is important for safe fuel handling. The presence of smaller, low flash point
hydrocarbons (8 carbons atoms) found in fuel lowers its flashpoint. This work involved …

Densities, Viscosities, Speeds of Sound, Bulk Moduli, Surface Tensions, and Flash Points of Quaternary Mixtures of n-Dodecane (1), n-Butylcyclohexane (2), n- …

DJ Luning Prak, JM Fries, RT Gober… - Journal of Chemical & …, 2019 - ACS Publications
The composition of Navy Jet fuel JP-5 was determined using gas chromatography (GC)-
electron impact mass spectrometry and GC× GC/(flame ionization detection) to contain by …

Comparisons of molecular structure generation methods based on fragment assemblies and genetic graphs

P Gantzer, B Creton, C Nieto-Draghi - Journal of chemical …, 2021 - ACS Publications
The use of quantitative structure–property relationships (QSPRs) helps in predicting
molecular properties for several decades, while the automatic design of new molecular …

Molecular graph-based deep learning method for predicting multiple physical properties of alternative fuel components

J Liu, S Gong, H Li, G Liu - Fuel, 2022 - Elsevier
The rapid development of novel fuels has spawned the demand for fast and precise
prediction of fuel physical properties. In this work, we coupled the molecular features and …