TY - JOUR
T1 - Predicting the adsorption of organic pollutants from water onto activated carbons based on the pore size distribution and molecular connectivity index
AU - Bunmahotama, Warisa
AU - Hung, Wei Nung
AU - Lin, Tsair Fuh
N1 - Funding Information:
This work was supported in part by the Headquarters of University Advancement at the National Cheng Kung University sponsored by the Ministry of Education, in part by Industrial Technology Research Institute Project ( DF55RN8000 ), and in part by Ministry of Science and Technology ( NSC 101-2221-E-006-152-MY3 ), Taiwan, ROC.
Publisher Copyright:
© 2015 Elsevier Ltd.
PY - 2015/11/15
Y1 - 2015/11/15
N2 - A new model approach is developed to predict the adsorption isotherms of low-molecular-weight nonpolar organic compounds (LMWNPOCs) onto activated carbons (ACs). The model is based on the Polanyi-Dubinin (PD) equation, with the limiting pore volume of adsorbent estimated from the pore size distribution (PSD) data, and the adsorption affinity of adsorbate described by the molecular connectivity index (MCI). To obtain the MCI parameters, the model was first tested for the adsorption of 34 LMWNPOCs primarily on F400 AC from 3 reports. The models fit the experimental data well, with only 39.2% of errors. The approach was further employed to predict the adsorption capacity of 40 LMWNPOCs on F400 AC, 12 LMWNPOCs onto 9 other ACs, and 8 LMWNPOCs onto 5 ACs with unknown PSD, with the errors of 41.9%, showing the model being reasonable. The model approach may provide a simple means for predicting adsorption capacities of LMWNPOCs onto different ACs.
AB - A new model approach is developed to predict the adsorption isotherms of low-molecular-weight nonpolar organic compounds (LMWNPOCs) onto activated carbons (ACs). The model is based on the Polanyi-Dubinin (PD) equation, with the limiting pore volume of adsorbent estimated from the pore size distribution (PSD) data, and the adsorption affinity of adsorbate described by the molecular connectivity index (MCI). To obtain the MCI parameters, the model was first tested for the adsorption of 34 LMWNPOCs primarily on F400 AC from 3 reports. The models fit the experimental data well, with only 39.2% of errors. The approach was further employed to predict the adsorption capacity of 40 LMWNPOCs on F400 AC, 12 LMWNPOCs onto 9 other ACs, and 8 LMWNPOCs onto 5 ACs with unknown PSD, with the errors of 41.9%, showing the model being reasonable. The model approach may provide a simple means for predicting adsorption capacities of LMWNPOCs onto different ACs.
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U2 - 10.1016/j.watres.2015.08.008
DO - 10.1016/j.watres.2015.08.008
M3 - Article
C2 - 26407344
AN - SCOPUS:84942125393
SN - 0043-1354
VL - 85
SP - 521
EP - 531
JO - Water Research
JF - Water Research
ER -