A QSPR model for estimating Henry's law constant of H2S in ionic liquids by ELM algorithm
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60460709%3A41330%2F21%3A85351" target="_blank" >RIV/60460709:41330/21:85351 - isvavai.cz</a>
Result on the web
<a href="https://www.sciencedirect.com/science/article/pii/S0045653520329416?via%3Dihub" target="_blank" >https://www.sciencedirect.com/science/article/pii/S0045653520329416?via%3Dihub</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.chemosphere.2020.128743" target="_blank" >10.1016/j.chemosphere.2020.128743</a>
Alternative languages
Result language
angličtina
Original language name
A QSPR model for estimating Henry's law constant of H2S in ionic liquids by ELM algorithm
Original language description
Ionic liquids (ILs) as green solvents have been studied in the application of gas sweetening. However, it is a huge challenge to obtain all the experimental values because of the high costs and generated chemical wastes. This study pioneered a quantitative structure-property relationship (QSPR) model for estimating Henrys law constant (HLC) of H2S in ILs. A dataset consisting of the HLC data of H2S for 22 ILs within a wide range of temperature (298,15-363,15 K) were collected from published reports. The electrostatic potential surface area (S-EP) and molecular volume of these ILs were calculated and used as input descriptors together with temperature. The extreme learning machine (ELM) algorithm was employed for nonlinear modelling. Results showed that the determination coefficient (R2) of the training set, test set and total set were 0,9996, 0,9989,0,9994, respectively, while the average absolute relative deviation (AARD%) of them were 1,3383, 2,4820 and 1,5820, respectively. The statistical paramet
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10511 - Environmental sciences (social aspects to be 5.7)
Result continuities
Project
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Continuities
S - Specificky vyzkum na vysokych skolach
Others
Publication year
2021
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Chemosphere
ISSN
0045-6535
e-ISSN
1879-1298
Volume of the periodical
269
Issue of the periodical within the volume
128743
Country of publishing house
GB - UNITED KINGDOM
Number of pages
10
Pages from-to
1-10
UT code for WoS article
000631725000060
EID of the result in the Scopus database
2-s2.0-85094954822