scholarly journals Evolution of Fragments Formed at the Rupture of a Knotted Alkane Molecule

1999 ◽  
Vol 121 (50) ◽  
pp. 11827-11830 ◽  
Author(s):  
A. Marco Saitta ◽  
Michael L. Klein
Keyword(s):  
Alkane Molecule

Excess molar volumes of binary mixtures of acetic acid and propionic acid with some members of homologous series of alkanes

1991 ◽  
Vol 56 (4) ◽  
pp. 736-744 ◽  
Author(s):  
Ondřej Drábek ◽  
Ivan Cibulka
Keyword(s):  
Acetic Acid ◽  
Propionic Acid ◽  
Alkyl Chain ◽  
Excess Molar Volumes ◽  
Liquid Mixtures ◽  
Entire Concentration Range ◽  
Molar Volumes ◽  
Binary Liquid ◽  
Alkane Molecule ◽  
Increasing Temperature

Excess molar volumes of binary liquid mixtures of (acetic or propionic acid = hexane) at 25 and 35°C, and (acetic or propionic acid + heptane or octane) and (acetic acid + dodecane) at 25°C, measured with a tilting dilution dilatometer, are reported. The excess volumes are positive over the entire concentration range for all mixtures and increase with increasing length of an alkane molecule, decrease with increasing of the alkyl chain in a molecule of carboxylic acid, and increase with increasing temperature.

Effects of Metal Nanoparticles on the Secondary Ion Yields of a Model Alkane Molecule upon Atomic and Polyatomic Projectiles in Secondary Ion Mass Spectrometry

2008 ◽  
Vol 80 (16) ◽  
pp. 6235-6244 ◽  
Author(s):  
Nimer Wehbe ◽  
Andreas Heile ◽  
Heinrich F. Arlinghaus ◽  
Patrick Bertrand ◽  
Arnaud Delcorte
Keyword(s):  
Mass Spectrometry ◽  
Metal Nanoparticles ◽  
Secondary Ion Mass Spectrometry ◽  
Alkane Molecule ◽  
Ion Mass Spectrometry ◽  
Ion Yields ◽  
Polyatomic Projectiles ◽  
Secondary Ion

scholarly journals Resonant Diffusion of Normal Alkanes in Zeolites:  Effect of the Zeolite Structure and Alkane Molecule Vibrations

1998 ◽  
Vol 102 (47) ◽  
pp. 9385-9391 ◽  
Author(s):  
Roumen Tsekov ◽  
Panagiotis G. Smirniotis
Keyword(s):  
Normal Alkanes ◽  
Zeolite Structure ◽  
Alkane Molecule

Diffusion of single alkane molecule in carbon nanotube studied by molecular dynamics simulation

Polymer ◽  
2006 ◽  
Vol 47 (21) ◽  
pp. 7607-7610 ◽  
Author(s):  
Hua Yang ◽  
Yu Liu ◽  
Hui Zhang ◽  
Ze-Sheng Li
Keyword(s):  
Molecular Dynamics ◽  
Carbon Nanotube ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Alkane Molecule

Electronic Structure at Tetratetracontane/Au(111) Interface

2007 ◽  
Vol 1029 ◽  
Author(s):  
Kaname Kanai ◽  
Yukio Ouchi ◽  
Kazuhiko Seki
Keyword(s):  
Surface State ◽  
Energy Gap ◽  
Photoemission Spectroscopy ◽  
Angle Resolved Photoemission Spectroscopy ◽  
Interface Dipole ◽  
Alkane Molecule ◽  
Wide Energy ◽  
Pauli Repulsion ◽  
Modified Surface ◽  
Back Donation

AbstractModification of the quasi two-dimensional surface state on Au(111) surface with adsorption of n-alkane molecule, tetratetracontane: TTC was investigated by angle-resolved photoemission spectroscopy (ARUPS) and X-ray photoemission spectroscopy (XPS). From ARUPS the energy band structure of the surface state of Au(111) surface is found to be significantly affected by TTC adsorption. The modified surface potential on Au(111) surface by the adsorption confines the surface electrons into the quantum well newly established between TTC wide energy gap and sp band gap of the Au(111) surface increasing its localization nature. Clear chemical shift in C 1s core level was observed in XPS spectrum for TTC layer right at the interface and small back-donation from Au(111) surface to TTC unoccupied states is suspected. On the other hand, a large interface dipole layer about 0.72 eV was observed by TTC adsorption. From these results, Pauli repulsion effect is expected not to have dominant effect on such large dipole formation on TTC adsorption.

Preparation and Characterization of Hollow Spheres with Cubic Mesoporous Shell

2013 ◽  
Vol 785-786 ◽  
pp. 382-385
Author(s):  
Yan Qiu Jiang ◽  
Ye Tang Pan ◽  
Xiao Wei Li ◽  
Wen Jing Cheng ◽  
Jian Min Sun ◽  
...  
Keyword(s):  
Hollow Spheres ◽  
Hollow Core ◽  
Swelling Agent ◽  
Alkane Molecule ◽  
Oil Water ◽  
Mesoporous Shell ◽  
Adsorption Desorption ◽  
Cubic Mesoporous ◽  
Outer Environment

This work demonstrated an approach of oil/water (O/W) microemulsion on preparation of hollow spheres with mesopores in the shell, in which a cationic surfactant was used as structural directing agent, alkane molecule as mesopore-swelling agent and oil droplets. The morphology and pore architecture of the obtained hollow spheres were characterized by SEM, XRD, TEM and N2adsorption/desorption isotherms. Cubic (Ia3d) mesopores are present in the shell and provide open channels for mass transport in between the hollow core and outer environment. The obtained hollow spheres with cubic mesoporous shell possess the potential of being used as nanoreactor and nanocontainer in the fields of catalysis and drug delivery.

The Application of Model Reactions to the Oxidation of Polyolefins

1972 ◽  
Vol 45 (2) ◽  
pp. 437-449 ◽  
Author(s):  
D. L. Allara ◽  
D. Edelson
Keyword(s):  
Solid Phase ◽  
Repeat Unit ◽  
Fluid Phase ◽  
Amorphous Solid ◽  
Chain Scission ◽  
Computational Techniques ◽  
Low Viscosity ◽  
Chemically Induced ◽  
Alkane Molecule ◽  
Hydrocarbon Polymers

Abstract Initial attempts have been made using computational techniques to apply model compound reactions quantitatively to the oxidation of ethylenepropylene copolymers by molecular oxygen at 100° C. The oxidations of n-butane, isobutane, and isopentane (the simplest model of a polypropylene repeat unit) were chosen as models and applied to the prediction of rates and products in the low conversion oxidations of squalane and a series of ethylenepropylene copolymers of differing composition at 100°. For simplicity, these initial calculations were done for a low viscosity fluid phase. For externally initiated reactions, where calculated and experimental rates (mostly amorphous, solid phase) could be compared, agreement was usually within a factor of 3–5, with the calculated rates generally too fast. Our results on both self- and externally initiated systems suggest that the effect of phase change, from liquid to amorphous solid, on the overall oxidation rate is not large, except in a few cases where effects such as chemically induced crystallization may be significant in the solid phase. Calculations for externally initiated oxidations predict that the rate of chain scission is proportional to the rate of radical production in excellent agreement with experimental results. Our initial results indicate that small alkane molecule reactions can be applied usefully, at present with limited accuracy, to the oxidation of hydrocarbon polymers.

scholarly journals Diffuse scattering and phase transitions in aperiodic inclusion compounds

2014 ◽  
Vol 70 (a1) ◽  
pp. C621-C621
Author(s):  
Philippe Rabiller ◽  
Bertrand Toudic ◽  
Laurent Guérin ◽  
Céline Mariette ◽  
Mark Hollingsworth
Keyword(s):  
Phase Transitions ◽  
Inclusion Compounds ◽  
Diffuse Scattering ◽  
Structural Phase ◽  
Molecular Systems ◽  
Alkane Molecule ◽  
Hydrocarbon Chains ◽  
Linear Alkanes ◽  
Aperiodic Crystals ◽  
Composite Crystals

Small molecules, such as urea, thiourea, perhydrotriphenylene can be co-crystallised with long-chain hydrocarbon molecules to form inclusion compounds. The guest chains are confined to narrow, approximately cylindrical, channels created by the host small-molecule lattice. The stoichiometry and the conformations of the chains included inside the channels are function of internal interactions such as intra-chain interaction, but also of overall co-operative properties of the resulting three dimensionally ordered single crystal. These intergrowth compounds may form incommensurate composite crystals. A prototype example of such uniaxial intergrowth aperiodic crystals is n-alkane (CnH2n+2)/urea (CO(NH2)2). In these supra-molecular systems, urea molecules are connected by H-bonds and form helical ribbons, which repeat every six urea molecules to form a series of linear, hexagonal tunnels that can accommodate linear alkanes. Because the channels (~0.53 nm) are larger than the hydrocarbon chains, guests are held loosely and can undergo substantial motions. A significant amount of diffuse scattering of the first and second kinds can be depicted in scattering experiments, static or dynamic. These materials undergo a large variety of continuous or weakly first order structural phase transitions when changing the alkane molecule length and giving place to large pre-transitional effects. The talk will give an overview of the diffuse scattering in these compounds and will focus on connection with aperiodicity.

Effect of physisorption of inert organic molecules on Au(111) surface electronic states

2017 ◽  
Vol 19 (28) ◽  
pp. 18646-18651 ◽  
Author(s):  
Hirotaka Mizushima ◽  
Harunobu Koike ◽  
Kenta Kuroda ◽  
Yukiaki Ishida ◽  
Mitsuhiro Nakayama ◽  
...  
Keyword(s):  
Surface State ◽  
Organic Molecules ◽  
Electronic States ◽  
Photoemission Spectroscopy ◽  
Alkane Molecule ◽  
Ultraviolet Photoemission Spectroscopy ◽  
Shockley Surface State

The modification of the Au(111) Shockley surface state (SS) by an n-alkane molecule (n-tetratetracontane) monolayer was observed by angle-resolved ultraviolet photoemission spectroscopy.

Alkane activation on a multimetallic site

2001 ◽  
Vol 73 (2) ◽  
pp. 315-318 ◽  
Author(s):  
Hiroharu Suzuki ◽  
Akiko Inagaki ◽  
Kouki Matsubara ◽  
Toshifumi Takemori
Keyword(s):  
Bond Cleavage ◽  
Alkane Activation ◽  
Metal Centers ◽  
Cooperative Action ◽  
Alkane Molecule

Trinuclear polyhydrido complex of ruthenium effectively activates alkanes to cleave C-H bonds in a selective manner due to cooperative action of the metal centers. The reaction of (Cp´Ru) 3 (m-H) 3 (m3 -H) 2 (1) (Cp´ = h5-C5Me5) with n-alkane at 170 °C leads to the formation of a trinuclear closo-ruthenacyclopentadiene complex as a result of a successive cleavage of six C-H bonds. Introduction of a m3-sulfido ligand into the Ru3 core of the trirutheniumpolyhydrido cluster significantly modifies the regioselectivity of the alkane C-H activation. Heating of a solution of (Cp´Ru) 3 (m3-S) (m-H) 3 (4) in alkane exclusively gives a trinuclear m3-alkylidyne complex via a selective C-H bond cleavage at the less-hindered terminus of alkane molecule.

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