| Title: | "Adsorption behavior of chloroform, carbon disulfide, and acetone on coconut shell-derived carbon: experimental investigation, simulation, and model study" |
| Author(s): | Zhao X; Li X; Zhu T; Tang X; |
| Address: | "School of Space and Environment, Beihang University, Beijing, 100191, People's Republic of China. School of Space and Environment, Beihang University, Beijing, 100191, People's Republic of China. xiangli@buaa.edu.cn. School of Energy and Environmental Engineering, University of Science and Technology Beijing, Beijing, 100083, People's Republic of China" |
| Journal Title: | Environ Sci Pollut Res Int |
| DOI: | 10.1007/s11356-018-3103-y |
| ISSN/ISBN: | 1614-7499 (Electronic) 0944-1344 (Linking) |
| Abstract: | "The adsorption performances of chloroform (TCM), carbon disulfide (CDS), and acetone (CP) were investigated and compared over self-prepared coconut shell-derived carbon (CDC) to study the adsorption behavior and mechanism of heteroatom (Cl, S, O)-containing volatile organic compounds (VOCs). The result indicates that the adsorption capacity of three typical VOCs obeys the sequence: TCM (361 mg/g) > CDS (194 mg/g) > CP (37 mg/g). However, desorption experiments show that adsorption intensity follows the order: CDS (165 degrees C) > TCM (147 degrees C) > CP (130 degrees C). The influence of surface oxygen-containing functional groups over CDC on adsorption performance was also studied by temperature programmed desorption (TPD) and in situ DRIFT spectra. It is implied that carbonyl in lactone and benzoquinonyl of CDC could affect VOC adsorption intensity by conjugation effect. Furthermore, adsorption isotherms of three VOCs were obtained through Grand Canonical Monte Carlo (GCMC) simulation and then fitted by classical isothermal models. Furthermore, the total adsorption potentials are calculated by potential theory, and the result follows the order: TCM (- 2.18 kJ/mol) > CDS (- 2.1 kJ/mol) > CP (- 1.5 kJ/mol). It is believed that the effect of magnetic susceptibility (chi) is more crucial than polarizability ( partial differential) and the distance r between the interacting molecules for the potential difference" |
| Keywords: | "Acetone/*chemistry Adsorption Carbon/*chemistry Carbon Disulfide/*chemistry Chloroform/*chemistry *Cocos Computer Simulation Models, Chemical Oxygen/chemistry Temperature Adsorption potential calculation Carbonyl group Coconut shell activated carbon GCMC;" |
| Notes: | "MedlineZhao, Xiaoyan Li, Xiang Zhu, Tianle Tang, Xiaolong eng 8182033/Beijing Natural Science Foundation/ 2017TFC0211800/National key research and development program/ 6326012/American Energy Foundation/ Germany 2018/09/08 Environ Sci Pollut Res Int. 2018 Nov; 25(31):31219-31229. doi: 10.1007/s11356-018-3103-y. Epub 2018 Sep 6" |
