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Thermodynamical and structural properties of imidazolium based ionic liquids from molecular simulation

Overview of attention for article published in Journal of Chemical Physics, April 2008
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  • Good Attention Score compared to outputs of the same age (66th percentile)
  • High Attention Score compared to outputs of the same age and source (87th percentile)

Mentioned by

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3 Wikipedia pages

Citations

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37 Dimensions

Readers on

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59 Mendeley
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Title
Thermodynamical and structural properties of imidazolium based ionic liquids from molecular simulation
Published in
Journal of Chemical Physics, April 2008
DOI 10.1063/1.2907332
Pubmed ID
Authors

Gabriele Raabe, Jürgen Köhler

Abstract

We have performed molecular dynamics simulations to determine the densities and heat of vaporization as well as structural information for the 1-alkyl-3-methyl-imidazolium based ionic liquids [amim][Cl] and [amim][BF(4)] in the temperature range from 298 to 363 K. In this simulation study, we used an united atom model of Liu et al. [Phys. Chem. Chem. Phys. 8, 1096 (2006)] for the [emim(+)] and [bmim(+)] cations, which we have extended for simulation in [hmim]-ILs and combined with parameters of Canongia Lopes et al. [J. Phys. Chem. B 108, 2038 (2004)] for the [Cl(-)] anion. Our simulation results prove that both the original united atoms approach by Liu et al. and our extension yield reasonable predictions for the ionic liquid with a considerably reduced computational expense than that required for all atoms models. Radial distribution functions and spatial distribution functions where employed to analyze the local structure of this ionic liquid, and in which way it is influenced by the type of the anion, the size of the cation, and the temperature. Our simulations give evidence for the occurrence of tail aggregations in these ionic liquids with increasing length of the side chain and also increasing temperature.

Mendeley readers

The data shown below were compiled from readership statistics for 59 Mendeley readers of this research output. Click here to see the associated Mendeley record.

Geographical breakdown

Country Count As %
United States 2 3%
Germany 2 3%
Portugal 1 2%
Japan 1 2%
Estonia 1 2%
Unknown 52 88%

Demographic breakdown

Readers by professional status Count As %
Student > Ph. D. Student 17 29%
Researcher 12 20%
Professor > Associate Professor 8 14%
Professor 5 8%
Student > Bachelor 4 7%
Other 13 22%
Readers by discipline Count As %
Chemistry 35 59%
Physics and Astronomy 6 10%
Materials Science 5 8%
Chemical Engineering 4 7%
Engineering 3 5%
Other 6 10%

Attention Score in Context

This research output has an Altmetric Attention Score of 3. This is our high-level measure of the quality and quantity of online attention that it has received. This Attention Score, as well as the ranking and number of research outputs shown below, was calculated when the research output was last mentioned on 10 November 2016.
All research outputs
#3,551,464
of 12,360,510 outputs
Outputs from Journal of Chemical Physics
#1,188
of 9,567 outputs
Outputs of similar age
#78,161
of 265,858 outputs
Outputs of similar age from Journal of Chemical Physics
#25
of 245 outputs
Altmetric has tracked 12,360,510 research outputs across all sources so far. This one is in the 49th percentile – i.e., 49% of other outputs scored the same or lower than it.
So far Altmetric has tracked 9,567 research outputs from this source. They receive a mean Attention Score of 2.9. This one has gotten more attention than average, scoring higher than 61% of its peers.
Older research outputs will score higher simply because they've had more time to accumulate mentions. To account for age we can compare this Altmetric Attention Score to the 265,858 tracked outputs that were published within six weeks on either side of this one in any source. This one has gotten more attention than average, scoring higher than 66% of its contemporaries.
We're also able to compare this research output to 245 others from the same source and published within six weeks on either side of this one. This one has done well, scoring higher than 87% of its contemporaries.