scholarly journals Determination of the dispersion forces in the gas phase structures of ionic liquids using exclusively thermodynamic methods

Author(s):  
Dzmitry H Zaitsau ◽  
Ralf Ludwig ◽  
Sergey P. Verevkin

Ionic liquids are described by a delicate balance of Coulomb interaction, hydrogen bonding and dispersion forces. Dissecting the different types of interaction from thermodynamic properties is still a challenge. Here,...

2019 ◽  
Vol 58 (25) ◽  
pp. 8589-8592 ◽  
Author(s):  
Dzmitry H. Zaitsau ◽  
Vladimir N. Emel'yanenko ◽  
Peter Stange ◽  
Sergey P. Verevkin ◽  
Ralf Ludwig

The microwave rotational spectrum of the hydrogen-bonded heterodimer CH 3 CN • • • HF has been identified and shown to be characteristic of a symmetric top. A detailed analysis of several rotational transitions for a variety of isotopic species gives the spectroscopic constants summarized in the following table: Rotational constants/MHz, vibration-rotation constants/MHz and vibrational separations/cm -1 of CH 3 CN • • • HF


2019 ◽  
Vol 33 (7) ◽  
pp. 523-535 ◽  
Author(s):  
Rahmat Wibowo ◽  
Leigh Aldous ◽  
Sarah E. Ward Jones ◽  
Richard G. Compton

Membranes ◽  
2020 ◽  
Vol 10 (12) ◽  
pp. 429
Author(s):  
Amal Mechergui ◽  
Alsu I. Akhmetshina ◽  
Olga V. Kazarina ◽  
Maria E. Atlaskina ◽  
Anton N. Petukhov ◽  
...  

To properly design ionic liquids (ILs) adopted for gases separation uses, a knowledge of ILs thermodynamic properties as well their solubilities with the gases is essential. In the present article, solubilities of CO2 and H2S in bis(2-Ethylhexyl)sulfosuccinate based ILs were predicted using the conductor like screening model for real solvents COSMO-RS. According to COSMO-RS calculations, the influence of the cation change was extensively analyzed. The obtained data are used for the prediction of adequate solvent candidates. Moreover, to understand the intrinsic behavior of gases solubility the free volume of the chosen ILs and their molecular interactions with respectively CO2 and H2S were computed. The results suggest that hydrogen bonding interactions in ILs and between ILs and the gases have a pivotal influence on the solubility.


Author(s):  
H.P. Stauffer ◽  
J. Bourquin

AbstractThe quantitative determination of formaldehyde in the gas phase of cigarette smoke does not permit any conclusion about the actual level in whole smoke. This is due to the fact that a Cambridge filter charged with smoke condensate absorbs up to 50 % of the volatile aldehydes from the gas phase. A simple method is presented making possible the estimation of formaldehyde in whole cigarette smoke. The procedure is based on the Hantzsch reaction between formaldehyde, acetylacetone and ammonium ion in an aqueous buffer solution. The reaction product, 3,5-diacetyl1,4-dihydrolutidine, has an absorption maximum at 412 nm and is measured spectrophotometrically. The operations are simple and there are no separation steps required. Reproducibility is excellent and interference by other carbonyl compounds can be neglected. Acetaldehyde in concentrations 10 times higher than formaldehyde interferes to less than 1 %. Different types of cigarettes have been analysed with respect to their delivery of formaldehyde. Values found range from 40 to 90 µg per cigarette. The concentrations found in whole smoke are significantly higher than the values cited in the Iiterature for gas phase formaldehyde


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