Permeabilities of CO<sub>2</sub>, H<sub>2</sub>S and CH<sub>4</sub> through Choline-Based Ionic Liquids: Atomistic-Scale Simulations
<p dir="ltr">Molecular dynamics simulations are used to study the transport of CO<sub>2</sub> , H<sub>2</sub>S and CH<sub>4</sub> molecules across environmentally friendly choline-benzoate and choline-lactate ionic liquids (ILs). The permeability c...
محفوظ في:
| المؤلف الرئيسي: | |
|---|---|
| مؤلفون آخرون: | , |
| منشور في: |
2019
|
| الموضوعات: | |
| الوسوم: |
إضافة وسم
لا توجد وسوم, كن أول من يضع وسما على هذه التسجيلة!
|
| الملخص: | <p dir="ltr">Molecular dynamics simulations are used to study the transport of CO<sub>2</sub> , H<sub>2</sub>S and CH<sub>4</sub> molecules across environmentally friendly choline-benzoate and choline-lactate ionic liquids (ILs). The permeability coefficients of the considered molecules are calculated using the free energy and diffusion rate profiles. Both systems show the largest resistance to CH<sub>4</sub> , whereas more than 5 orders of magnitude larger permeability coefficients are obtained for the other two gas molecules. The CO<sub>2</sub> /CH<sub>4</sub> and H<sub>2</sub>S/CH<sub>4</sub> selectivity was estimated to be more than 10<sup>4</sup> and 10<sup>5</sup> , respectively. These results indicate the great potential of the considered ILs for greenhouse gas control.</p><p><br></p><h2>Other Information</h2><p dir="ltr">Published in: Molecules<br>License: <a href="https://creativecommons.org/licenses/by/4.0/" target="_blank">https://creativecommons.org/licenses/by/4.0/</a><br>See article on publisher's website: <a href="https://dx.doi.org/10.3390/molecules24102014" target="_blank">https://dx.doi.org/10.3390/molecules24102014</a></p> |
|---|