Comparative study on the gas to solution phase solvation free energies of model combustion flue gas compounds (N~2~, O~2~, CO~2~, H~2~O, SO~2~, and CO) in 178 organic solvents using the IEFPCM-UFF, CPCM, and SMD implicit solvent models at the Gaussian-4 (G4) level of theory [PDF]
, 2010 Gas to solution phase Gibbs free energies of solvation at 298.15 K for transfer of six representative combustion flue gas compounds (N~2~, O~2~, CO~2~, H~2~O, SO~2~, and CO) were calculated at the Gaussian-4 (G4) level of theory using the IEFPCM-UFF ...
Kaya Forest, Sierra Rayne
core +2 more sources
Rhodium colloidal suspension deposition on porous silica particles by dry impregnation: Study of the influence of the reaction conditions on nanoparticles location and dispersion and catalytic reactivity [PDF]
, 2009 Rhodium composite nanomaterials were synthesized by an innovating process called dry impregnation in a fluidized bed. It consists in spraying an aqueous colloidal suspension of rhodium on silica porous particles.
Barthe, Laurie +5 more
core +4 more sources
Mechanical Engineering Journal, 2017 In this research, we investigated an energy supply system based on hydrogen derived from renewable energy. We modeled the energy flow and efficiency of a system using the MCH-toluene-hydrogen reaction cycle (MTHR) by methylcyclohexane (MCH, C6H11CH3) and
Shin'ya OBARA
doaj +1 more source
Study of Cyclohexane and Methylcyclohexane Functionalization Promoted by Manganese(III) Compounds
Inorganics, 2023 Alkane functionalization using safe and low-energy processes is of great interest to industry and academia. Aiming to contribute to the process of saturated hydrocarbon functionalization, we have studied a set of three manganese(III) complexes as ...
Eduardo S. Neves +2 more
doaj +1 more source
Convergent Total Synthesis of 16β‐Hydroxylpseudobufarenogin
Angewandte Chemie, EarlyView.We present a novel convergent strategy that integrates Pd/Ag‐promoted Suzuki–Miyaura coupling with Ir‐catalyzed radical‐relay cyclization, enabling the first total synthesis of 16β‐hydroxylpseudobufarenogin. This approach is broadly applicable to the total synthesis of various oxygenated bufadienolides by simply modifying the fragment structures ...
Wataru Shigematsu +3 more
wiley +2 more sources
Methyl-Cyclohexane Methanol (MCHM) Isomer-Dependent Binding on Amorphous Carbon Surfaces
Molecules, 2021 In January 2014, over 10,000 gallons of methyl-cyclohexane methanol (MCHM) leaked into the Elk River in West Virginia, in a chemical spill incident that contaminated a large portion of the state’s water supply and left over 300,000 residents without ...
William A. Alexander
doaj +1 more source
Angewandte Chemie, EarlyView.Covalently linked carbazole dimers exhibit intense excimer‐based circularly polarized luminescence (CPL). A simple propylene‐tethered dimer achieves glum ≈ 0.01 in the violet region—among the highest for small organic emitters without heavy atoms. Conformational mapping reveals CPL is governed by thermodynamic/kinetic control of emissive conformers ...
Tomohiro Kujime, Zhe Wang, Tadashi Mori
wiley +2 more sources
Toxicity of Methylcyclohexane and Its Effect on the Reproductive System in SD Rats
Safety and Health at Work, 2011 Objectives: There is limited data regarding the toxicity of methylcyclohexane, despite its wide use in rubber adhesives, paint diluents, and cleansing agents.
Hyeon-Yeong Kim +3 more
doaj +1 more source
Ozone and alkyl nitrate formation from the Deepwater Horizon oil spill atmospheric emissions [PDF]
, 2012 Ozone (O3), alkyl nitrates (RONO2), and other photochemical products were formed in the atmosphere downwind from the Deepwater Horizon (DWH) oil spill by photochemical reactions of evaporating hydrocarbons with NOx (=NO+NO2) emissions from spill response
Aikin, KC +13 more
core +1 more source
Simultaneous free-volume modeling of the self-diffusion coefficient and dynamic viscosity at high pressure [PDF]
, 2004 International audienceA free-volume model of the dynamic viscosity and the self-diffusion coefficients was discussed. The temperature-pressure variations of the dynamic viscosity and the self-diffusion coefficients of small molecules were predicted.
A. Allal +29 more
core +4 more sources