Abstract
Porous activated biocarbon from Ravenna grass was utilized as an adsorbent for the removal of 4-Nitrophenol from aqueous solution. Chemical activation process using potassium hydroxide was adopted for the activated biocarbon preparation. The essential features of the prepared adsorbent represented by BET surface area, pore volume and pHZPC were 919 m2g−1, 0.324 cm3g−1 and 8.1 respectively. SEM, FTIR, XRD and TGA analysis revealed the microcrystallite and porous structure of the synthesized biocarbon with abundant functional groups and high thermal stability. Batch adsorption tests were conducted for 4-Nitrophenol adsorption, and the optimum adsorbent dose, pH, initial 4-Nitrophenol concentration and contact time were found to be 0.5 g, 7, 400 mgL−1 and 40 minutes, respectively. The equilibrium isotherm study revealed the suitability of the Langmuir isotherm with a maximum adsorption capacity of 50.89 mg/g. The pseudo-second-order kinetic model well represented the adsorption kinetics data, while thermodynamics study indicated the spontaneity (ΔG<0) and endothermic nature (ΔH>0) of the adsorption of 4-Nitrophenol. Density functional theory (DFT) calculations performed at the B3LYP level indicated that the interaction of 4-Nitrophenol with pristine and functionalized activated biocarbon is favorable.
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References
N. G. Rincón-Silva, J. C. Moreno-Piraján and L. Giraldo, Adsorption, 22, 33 (2016).
I. Ipek, N. Kabay and M. Yüksel, J. Water Process Eng., 16, 206 (2017).
R. R. Karri, J. N. Sahu and N. S. Jayakumar, J. Taiwan Inst. Chem. Eng., 80, 472 (2017).
E. Z-Flores, M. Abatal, A. Bassam, L. Trujillo, P. Juárez-Smith and Y. El Hamzaoui, J. Clean. Prod., 161, 860 (2017).
A. Sukan and S. Sargin, J. Biomater. Nanobiotechnol., 4, 300 (2013).
L. G. C. Villegas, N. Mashhadi, M. Chen, D. Mukherjee, K. E. Taylor and N. Biswas, Curr. Pollut. Reports, 2, 157 (2016).
E. Yagmur, S. Turkoglu, A. Banford and Z. Aktas, J. Clean. Prod., 149, 1109 (2017).
S. K. Nadavala, H. Che Man and H. Woo, BioResources, 9, 5155 (2014).
A. Q. Jaradat, S. Gharaibeh and M. Abu Irjei, Water Environ. J., 32, 134 (2018).
Y. Jiang, G. Ni, G. Zhao, Y. Meng, J. Li and X. Wang, Plasma Process. Polym., 10, 353 (2013).
F. Khazaali, A. Kargari and M. Rokhsaran, Desalin. Water Treat., 52, 7543 (2013).
Y. Wu, G. Tian, H. Tan and X. Fu, Desalin. Water Treat., 51, 37 (2013).
N. Rabaaoui, M. E. K. Saad, Y. Moussaoui, M. S. Allagui, A. Bedoui and E. Elaloui, J. Hazard. Mater., 250-251, 447 (2013).
M. Tian, S. S. Thind, J. S. Dondapati, X. Li and A. Chen, Chemosphere, 209, 182 (2018).
V. Peings, J. Frayret and T. Pigot, J. Environ. Manage., 157, 287 (2015).
Y. Song, J. Jiang, J. Ma, S. Y. Pang, Y. Z. Liu, Y. Yang, C. W. Luo, J. Q. Zhang, J. Gu and W. Qin, Environ. Sci. Technol., 49, 11764 (2015).
Y. Tu, Y. Xiong, S. Tian, L. Kong and C. Descorme, J. Hazard. Mater., 276, 88 (2014).
M. Kuosa, J. Kallas and A. Häkkinen, J. Environ. Chem. Eng., 3, 325 (2015).
M. Madani, M. Aliabadi, B. Nasernejad, R. K. Abdulrahman, M. Y. Kilic and K. Kestioglu, Desalin. Water Treat., 53, 2031 (2015).
K. Akin, I. Arslan-Alaton, O. H. Tugba and M. Bekbolet, Chem. Eng. J., 224, 4 (2013).
G. Moussavi, S. Ghodrati and A. Mohseni-Bandpei, J. Biotechnol., 184, 111 (2014).
H. Jalayeri, F. Doulati Ardejani, R. Marandi and S. Rafiee pur, Arab. J. Geosci., 6, 3847 (2013).
D. Y. Xu and Z. Yang, Chemosphere, 92, 391 (2013).
J. A. Torres, P. M. B. Chagas, M. C. Silva, C. D. Dos Santos and A. D. Corrêa, Environ. Technol. (United Kingdom), 37, 1288 (2016).
S. Aber, A. Khataee and M. Sheydaei, Bioresour. Technol., 100, 6586 (2009).
H. Fan, L. Shi, H. Shen and K. Xie, RSC Adv., 6, 109983 (2016).
B. Li, Energy Environ. Sci., 9, 102 (2016).
K. Ngaosuwan, J. G. Goodwin and P. Prasertdham, Renew. Energy, 86, 262 (2016).
A. Mullick, S. Moulik and S. Bhattacharjee, Indian Chem. Eng., 60, 58 (2017).
N. You, J. Li, H. Fan and H. Shen, J. Adv. Res., 15, 77 (2018).
G. Selvaraju, N. Kartini and A. Bakar, J. Clean. Prod., 141, 989 (2016).
A. Kumar and H. M. Jena, J. Clean. Prod., 137, 1246 (2016).
P. T. Dhorabe, D. H. Lataye and R. S. Ingole, Water Sci. Technol., 73, 955 (2016).
X. Liu, F. Wang and S. Bai, Water Sci. Technol., 72, 2229 (2015).
P. T. Dhorabe, D.H. Lataye and R.S. Ingole, J. Hazardous, Toxic, Radioact. Waste, 21, 4016015 (2017).
L. M. Cam, L. Van Khu and N. N. Ha, J. Mol. Model., 19, 4395 (2013).
F. Shen, J. Liu, Z. Zhang, Y. Dong and C. Gu, Fuel Process. Technol., 171, 258 (2018).
B. Padak, M. Brunetti, A. Lewis and J. Wilcox, Environ. Prog., 25, 319 (2006).
L. R. Radovic, Carbon N. Y., 43, 907 (2005).
D. Cortés-Arriagada, L. Sanhueza and M. Santander-Nelli, J. Mol. Model., 19, 3569 (2013).
J. Liu, W. Qu, S.W. Joo and C. Zheng, Chem. Eng. J., 184, 163 (2012).
B. M. Babic, S. K. Milonjic, M. J. Polovina and B. V. Kaludierovic, Carbon N. Y., 37, 477 (1999).
Y. S. Ho, G. McKay, D. A. J. Wase and C.F. Forster, Adsorpt. Sci. Technol., 18, 639 (2000).
M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery Jr., J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, K. N. Kudin, V. N. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, Ö. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski and D. J. Fox, Gaussian Inc., Wallingford CT, Wallingford CT (2009).
M. L. Martínez, M. M. Torres, C. A. Guzmán and D. M. Maestri, Ind. Crops Prod., 23, 23 (2006).
I. I. Gurten, M. Ozmak, E. Yagmur and Z. Aktas, Biomass Bioenergy, 37, 73 (2012).
J. Matos, C. Nahas, L. Rojas and M. Rosales, J. Hazard. Mater., 196, 360 (2011).
D. Angin, Fuel, 115, 804 (2014).
S. Li, K. Han, J. Li, M. Li and C. Lu, Micropor. Mesopor. Mater., 243, 291 (2017).
B. H. Diya’uddeen, I. A. Mohammed, A. Ahmed and B. Y. Jibril, Agric. Eng. Int., 10, 1 (2008).
J. Bartram and R. Ballance, Water Quality Monitoring: A Practical Guide to the Design and Implementation of Freshwater Quality Studies and Monitoring Programmes, 1st Ed. (E & FN Spon, 1996).
H. Soni and P. Padmaja, J. Porous Mater., 21, 275 (2014).
H. Moazed and S. B. Nasab, J. Mol. Liq., 211, 448 (2015).
D. Balarak, Int. J. ChemTech Res., 9, 681 (2016).
S. N. Muluh, J.N. Ghogomu, A.A. B. Alongamo and D.L. Ajifack, Int. J. Adv. Eng. Res. Technol., 5, 610 (2017).
M. Shirzad-Siboni, S.-J. Jafari, M. Farrokhi and J. K. Yang, Environ. Eng. Res., 18, 247 (2013).
D. Kavitha, J. Environ. Biotechnol. Res., 3, 24 (2016).
P. Sudhakar, I. D. Mall and V. C. Srivastava, Desalin. Water Treat., 57, 12375 (2016).
A. Ely, M. Baudu, M. Ould, S. Ahmed, O. Kankou and J. Basly, Chem. Eng. J., 178, 168 (2011).
E. S. A. Rawash, Glob. J. Environ. Sci. Manag., 2, 11 (2016).
M. E. Mahmoud and G. M. Nabil, J. Mol. Liq., 240, 280 (2017).
M. J. Ahmed and S. K. Theydan, Desalin. Water Treat., 55, 522 (2015).
T. Sismanoglu and S. Pura, Colloids Surfaces A Physicochem. Eng. Asp., 180, 1 (2001).
B. Zhang, F. Li, T. Wu, D. Sun and Y. Li, Colloids Surfaces A Physicochem. Eng. Asp., 464, 78 (2015).
N. G. Rincón-Silva, J. C. Moreno-Piraján and L. G. Giraldo, J. Chem., 2015, 1 (2014).
S. Al-Asheh, B. Fawzi and M. Asmahan, Environ. Geol., 45, 1109 (2004).
Z. Wu, X. Yuan, H. Zhong, H. Wang and G. Zeng, Nat. Publ. Gr., 6, 25638 (2016).
Acknowledgement
The authors Aola Supong and Parimal Chandra Bhomick are grateful to the Department of Science and Technology-INSPIRE Fellowship. The authors also acknowledge Department of Chemistry, Calcutta University for computational facilities. The support received under DST-FIST is also acknowledged.
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A combined experimental and theoretical investigation of the adsorption of 4-Nitrophenol on activated biocarbon using DFT method
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Supong, A., Bhomick, P.C., Sinha, U.B. et al. A combined experimental and theoretical investigation of the adsorption of 4-Nitrophenol on activated biocarbon using DFT method. Korean J. Chem. Eng. 36, 2023–2034 (2019). https://doi.org/10.1007/s11814-019-0382-z
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DOI: https://doi.org/10.1007/s11814-019-0382-z