Abraham model correlations for describing the partition of organic compounds from water into the methyl ethyl ketone extraction solvent
K Smart, E Connolly, L Ocon, T Golden… - … and Chemistry of …, 2022 - Taylor & Francis
Experimental water-to-methyl ethyl ketone partition coefficients have been determined for 34
different organic solutes at ambient room temperature based on gas–liquid chromatographic …
different organic solutes at ambient room temperature based on gas–liquid chromatographic …
Molecular dynamics simulation of C–C bond scission in polyethylene and linear alkanes: effects of the condensed phase
KV Popov, VD Knyazev - The Journal of Physical Chemistry A, 2014 - ACS Publications
The reaction of C–C bond scission in polyethylene chains of various lengths was studied
using molecular dynamics under the conditions of vacuum and condensed phase (polymer …
using molecular dynamics under the conditions of vacuum and condensed phase (polymer …
Lipophilicity Assessment of Ruthenium (II)‐Arene Complexes by the Means of Reversed‐Phase Thin‐Layer Chromatography and DFT Calculations
KSAM Shweshein, F Andrić, A Radoičić… - The Scientific World …, 2014 - Wiley Online Library
The lipophilicity of ten ruthenium (II)‐arene complexes was assessed by reversed‐phase
thin‐layer chromatography (RP‐TLC) on octadecyl silica stationary phase. The binary …
thin‐layer chromatography (RP‐TLC) on octadecyl silica stationary phase. The binary …
Unraveling the mechanisms of carboxyl ester bond hydrolysis catalyzed by a vanadate anion
T Mihaylov, T Parac-Vogt, K Pierloot - Inorganic Chemistry, 2012 - ACS Publications
The mechanism of p-nitrophenyl acetate (pNPA) hydrolysis promoted by vanadate ions was
investigated utilizing both density functional theory and ab initio methods. In accordance …
investigated utilizing both density functional theory and ab initio methods. In accordance …
Study of deposit formation inside diesel injectors nozzles
YC Wang - 2012 - dspace.mit.edu
Diesel engines are widely used in heavy duty transportation applications such as in trucks,
buses and ships because of their reliability and high torque output. A key diesel technology …
buses and ships because of their reliability and high torque output. A key diesel technology …
Automatic Generation of Chemical Mechanisms for Electrochemical Systems: Solid Electrolyte Interphase Formation in Lithium Batteries
Electrolytes in many lithium ion batteries decompose at the low potentials near the anode.
The decomposition products form a layer termed the solid electrolyte interphase (SEI). The …
The decomposition products form a layer termed the solid electrolyte interphase (SEI). The …
Comments on “Classification of biphasic solvent systems according to Abraham descriptors for countercurrent chromatography”
WE Acree Jr, B Churchill, MH Abraham - Journal of Chromatography A, 2020 - Elsevier
Abraham model correlations reported by Marlot and coworkers for the 1-octanol/water, 1-
butanol/water, ethyl acetate/water, and heptane/methanol biphasic partitioning systems are …
butanol/water, ethyl acetate/water, and heptane/methanol biphasic partitioning systems are …
Multiscale modeling of thermochemical conversion of bio-oils
CN Saidi - 2020 - theses.hal.science
Production of bio-oils through thermochemical biomass conversion is a promising process
for biorefining. While gas phase kinetics of bio-oil conversion has been improving, its liquid …
for biorefining. While gas phase kinetics of bio-oil conversion has been improving, its liquid …
A new model to predict thermodynamic properties of molecules and free-radicals; new horizons for the modelling of liquid oxidation and supercritical combustion
Automatic kinetic mechanism generators used in detailed kinetic modeling of combustion
processes can provide data for ideal gas phase only. To adapt this data to supercritical …
processes can provide data for ideal gas phase only. To adapt this data to supercritical …
[PDF][PDF] Modeling Interactions Between Carbon Dioxide and Biomolecules
N Demers - 2024 - digital.wpi.edu
With CO 2 levels on the rise in the earth, air, and water, reducing emissions to combat global
warming is more important than ever. Solvent carbon capture is an effective method for …
warming is more important than ever. Solvent carbon capture is an effective method for …