Raman Line Imaging of Poly(ε-caprolactone)/Carbon Dioxide Solutions at High Pressures: A Combined Experimental and Computational Study for Interpreting Intermolecular Interactions and Free-Volume Effects

2016 ◽  
Vol 120 (34) ◽  
pp. 9115-9131 ◽  
Author(s):  
Maria Giovanna Pastore Carbone ◽  
Pellegrino Musto ◽  
Marianna Pannico ◽  
Andreas Braeuer ◽  
Giuseppe Scherillo ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Free Volume ◽  
Intermolecular Interactions ◽  
Raman Line ◽  
High Pressures ◽  
Computational Study ◽  
Line Imaging ◽  
Volume Effects

Investigation of CO2 sorption in molten polymers at high pressures using Raman line imaging

Polymer ◽  
2013 ◽  
Vol 54 (2) ◽  
pp. 812-818 ◽  
Author(s):  
Oliver Sven Knauer ◽  
Maria Giovanna Pastore Carbone ◽  
Andreas Braeuer ◽  
Ernesto Di Maio ◽  
Alfred Leipertz
Keyword(s):  
Raman Line ◽  
High Pressures ◽  
Co2 Sorption ◽  
Molten Polymers ◽  
Line Imaging

scholarly journals Computational study of the interplay between intermolecular interactions and CO2orientations in type I hydrates

2017 ◽  
Vol 19 (4) ◽  
pp. 3384-3393 ◽  
Author(s):  
M. Pérez-Rodríguez ◽  
A. Vidal-Vidal ◽  
J. M. Míguez ◽  
F. J. Blas ◽  
J.-P. Torré ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Intermolecular Interactions ◽  
Computational Study ◽  
Type I ◽  
Lattice Geometry

Carbon dioxide molecules show a rich orientation landscape when they are enclathrated in type I hydrates, due to lattice geometry but also to intermolecular guest–guest interactions.

scholarly journals How bulk and surface properties of Ti4SiC3, V4SiC3, Nb4SiC3 and Zr4SiC3 tune reactivity: A computational study

2021 ◽  
Author(s):  
Matthew Quesne ◽  
C. Richard A. Catlow ◽  
Nora Henriette De Leeuw
Keyword(s):  
Carbon Dioxide ◽  
Transition Metal ◽  
Surface Properties ◽  
In Silico ◽  
Computational Study ◽  
Max Phase ◽  
Early Transition Metal ◽  
Silicon Carbides ◽  
Carbon Dioxide Hydrogenation ◽  
Early Transition

We present several in silico insights into the MAX-phase of early transition metal silicon carbides and explore how these affect carbon dioxide hydrogenation. Periodic desity functional methodology is applied to...

Extraction of lignin from sugar cane bagasse and Pinus taeda wood chips using ethanol–water mixtures and carbon dioxide at high pressures

2005 ◽  
Vol 36 (1) ◽  
pp. 31-39 ◽  
Author(s):  
Daniel Pasquini ◽  
Maria Teresa Borges Pimenta ◽  
Luiz Henrique Ferreira ◽  
Antonio Aprigio da Silva Curvelo
Keyword(s):  
Carbon Dioxide ◽  
Pinus Taeda ◽  
Sugar Cane ◽  
High Pressures ◽  
Sugar Cane Bagasse ◽  
Wood Chips

scholarly journals Gaseous combustion at high pressures. —Part X. The co-volume corrections, maximum temperatures and dissociation of steam and carbon dioxide in explosions

1928 ◽  
Vol 119 (782) ◽  
pp. 464-480
Keyword(s):  
Carbon Dioxide ◽  
High Pressure ◽  
Internal Energy ◽  
High Temperatures ◽  
High Pressures ◽  
Internal Combustion ◽  
Systematic Survey ◽  
Explosion Method ◽  
Maximum Temperatures ◽  
Very High

During the researches upon high-pressure explosions of carbonic oxide-air, hydrogen-air, etc., mixtures, which have been described in the previous papers of this series, a mass of data has been accumulated relating to the influence of density and temperature upon the internal energy of gases and the dissociation of steam and carbon dioxide. Some time ago, at Prof. Bone’s request, the author undertook a systematic survey of the data in question, and the present paper summarises some of the principal results thereof, which it is hoped will throw light upon problems interesting alike to chemists, physicists and internal-combustion engineers. The explosion method affords the only means known at present of determining the internal energies of gases at very high temperatures, and it has been used for this purpose for upwards of 50 years. Although by no means without difficulties, arising from uncertainties of some of the assumptions upon which it is based, yet, for want of a better, its results have been generally accepted as being at least provisionally valuable. Amongst the more recent investigations which have attracted attention in this connection should be mentioned those of Pier, Bjerrum, Siegel and Fenning, all of whom worked at low or medium pressures.

Intermolecular interactions in microhydrated ribonucleoside and deoxyribonucleoside: A computational study

2021 ◽  
pp. 113422
Author(s):  
Natarajan Sathiyamoorthy Venkataramanan ◽  
Ambigapathy Suvitha ◽  
Royoji Sahara ◽  
Yoshiuki Kawazoe
Keyword(s):  
Intermolecular Interactions ◽  
Computational Study

Volumetric behaviour of (carbon dioxide + hydrocarbon) mixtures at high pressures

2016 ◽  
Vol 110 ◽  
pp. 103-109 ◽  
Author(s):  
Johnny Zambrano ◽  
Franklin V. Gómez-Soto ◽  
Daniel Lozano-Martín ◽  
M. Carmen Martín ◽  
José J. Segovia
Keyword(s):  
Carbon Dioxide ◽  
High Pressures ◽  
Hydrocarbon Mixtures

scholarly journals The structure of the high pressure carbon bands and the swan system

1929 ◽  
Vol 124 (795) ◽  
pp. 668-688 ◽  
Keyword(s):  
Carbon Dioxide ◽  
Carbon Monoxide ◽  
High Pressure ◽  
High Pressures ◽  
Carbon Electrodes ◽  
High Dispersion ◽  
Pressure System ◽  
True Nature ◽  
Discharge Tubes ◽  
Condensed Discharge

The so-called high pressure “ CO ” bands—or high pressure carbon bands, as they are better called—were first found by Fowler* in 1910 in tubes containing carbon monoxide at relatively high pressures. The system was described as consisting of some six apparently double-headed bands degraded to the violet, their wave-lengths being approximately at— 6441 6420 } 5897 5878 } 5431 5413 } 5030 5015 } 4679 4663 } 4365 4353 } Å. U. In 1923 the conditions of production of this spectrum were further investigated by Merton and Johnson who obtained the bands with considerable strength by condensed discharges in capillary tubes fitted with carbon electrodes, and containing CO at pressures of 5 mm. and more. It was found that while the high pressure bands and the Swan bands were mingled in the light from the capillary of the tube, the former bands were isolated in bluish jets where the two ends of the capillary merged into the wider parts of the tube. Further observations indicated that the introduction of a little C0 2 destroyed the bands, but that the system re-apppeared after a few minutes, in which time presumably the carbon dioxide had been reduced to monoxide by the carbon electrodes. A reproduction of these bands photographed under low dispersion is given in the above-mentioned paper. No further experimental work appears to have been done on this system, and it has not been correlated with any other band system or assigned any place in the system of electronic levels of the CO molecule. We have therefore made an attempt to photograph the system under high dispersion with a view to fine structure analysis and identification of the molecular emitter. For this purpose large discharge tubes having a bore of about 15 to 20 mm. and a length of 60 or 70 cm. were used. These had at least one of the electrodes made of carbon and were fitted with side bulbs containing caustic potash and phosphorus pentoxide and a palladium regulator. The tubes were filled with carbon monoxide to such a pressure (probably 20-40 mm.) that a condensed discharge could just be forced through by the ¼ kilowatt 15,000 volt transformer used. Some of the tubes had large side flasks attached to them, increasing thereby the volume of gas in the tube, and giving the tubes a life of 4 to 6 hours during which the high pressure bands were emitted strongly. After some such period the pressure fell below the optimum value, and deposits of carbon had accumulated on the walls of the tube. Impurities such as hydrogen, carbon dioxide, and water-vapour were found to inhibit formation of the high pressure bands, and the tube always attained its best condition after running for about an hour (removing meanwhile any little hydrogen present through the regulator). Under these conditions the wide bore is practically filled with light, and presents a remarkable appearance, as of dense pale blue puffs of smoke (showing the high pressure system), threaded by a narrow green ribbon (showing the Swan system). If side tubes having a fair capacity ( e . g ., flasks) are attached to the discharge tube the high pressure glow is capable of diffusion into these. The appearance is suggestive of an afterglow emitter, but if this is its true nature it is of very short duration. Photographs of the H. P. bands were taken in times varying from 4 to 10 hours in the first order of a 21-foot grating. The green band in the neighbourhood of λ 5000 is exceedingly faint and was not attempted. Before considering the results -obtained it will be an advantage to summarise our present knowledge of the Swan spectrum and its emitter, with which it will subsequently be shown that the high pressure carbon system is intimately related.

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