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Experiment and molecular simulation for liquid phase adsorption of triethylenetetramine on activated carbon: equilibrium, kinetics, thermodynamics and molecular behavior

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Abstract

Modification of the surface of raw activated carbon using chemical solvents can significantly improve the adsorption performance of activated carbon. Triethylenetetramine is one of the most important chemical solvents used to modify raw activated carbon for formaldehyde removal indoor. We conducted the liquid impregnation experiments at different initial concentrations, temperatures, adsorbent dosage and time ranges to fully investigate the adsorption of triethylenetetramine on the surface of raw activated carbon for modification. We found that the Langmuir isotherm model and pseudo-first-order kinetic model fit quite well with the experimental data and the R2 are 0.9883 and 0.9954, respectively. The theoretical maximum adsorption capacity is 166.67 mg/g. The change in Gibbs free energy (ΔG0), enthalpy change (ΔH0) and entropy change (ΔS0) were also calculated to study the direction and driving force of the liquid adsorption process. In order to understand the adsorption process at the molecular level, a new activated carbon model based on the actual physical and chemical properties of activated carbon was carefully established in the Materials Studio to simulate the liquid-phase adsorption. The pore structure, elemental composition, functional group content, density, pore volume, and porosity of the activated carbon model converge close to the actual activated carbon and the adsorption isotherms obtained from the simulation agree well with the experimental results. The results show that the adsorption of triethylenetetramine on activated carbon is a spontaneous, endothermic and monolayer physical adsorption process.

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Data availability

The data used to support the findings of this study are available from the corresponding author upon reasonable request.

References

  1. Laskar II, Hashisho Z, Phillips JH, Anderson JE, Nichols M (2019) Modeling the Effect of Relative Humidity on Adsorption Dynamics of Volatile Organic Compound onto Activated Carbon. Environ Sci Technol 53:2647–2659

    CAS  Google Scholar 

  2. Latifatu M, Park JH, Ko JM, Park J (2018) Supercapacitive properties of composite electrode consisting of activated carbon and quinone derivatives. J Ind Eng Chem 63:12–18

    CAS  Google Scholar 

  3. Chang SM, Hu SC, Shiue A, Lee PY, Leggett G (2020) Adsorption of silver nano-particles modified activated carbon filter media for indoor formaldehyde removal. Chem Phys Lett 757:137864

    CAS  Google Scholar 

  4. Nazzal JS, Kiełbasa K (2019) Advances in modification of commercial activated carbon for enhancement of CO2 capture. Appl Surf Sci 494:137–151

    Google Scholar 

  5. Giraldo L, Vargas DP, Moreno-Piraján JC (2020) Study of CO2 Adsorption on Chemically Modified Activated Carbon with Nitric Acid and Ammonium Aqueous. Front Chem 8:543452

    CAS  Google Scholar 

  6. Wang J, Adelodun AA, Oh JM, Jo YM (2020) TEPA impregnation of electrospun carbon nanofibers for enhanced low-level CO2 adsorption. Nano Converg 7(1):1–11

    Google Scholar 

  7. Wang J, Wu Z, Niu Q, Liu L, Yang L, Fu M, Ye D, Chen P (2021) Highly efficient adsorptive removal of toluene using silicon-modified activated carbon with improved fire resistance. J Hazard Mater 415:125753

    CAS  Google Scholar 

  8. Li L, Liu S, Liu J (2011) Surface modification of coconut shell based activated carbon for the improvement of hydrophobic VOC removal. J Hazard Mater 192(2):683–690

    CAS  Google Scholar 

  9. Natheer RT, Saleh MY (2021) Removal of Pb (II) ions from Tigris river wastewater in Mosul city by using modified commercial activated carbon. Egypt J Chem 64:2–3

    Google Scholar 

  10. Jin G, Eom Y, Lee TG (2016) Removal of Hg (II) from aquatic environments using activated carbon impregnated with humic acid. J Ind Eng Chem 42:46–52

    CAS  Google Scholar 

  11. Kazeem TS, Lateef SA, Ganiyu SA, Qamaruddin M, Tanimu A, Sulaiman KO, Jillani SM, Alhooshani K (2018) Aluminium-modified activated carbon as efficient adsorbent for cleaning of cationic dye in wastewater. J Clean Prod 205:303–312

    CAS  Google Scholar 

  12. Ahmad W, Amin A, Rehman TU, Hussain F, Ilyas M (2022) Treatment of dyes contaminated water using surfactants modified activated carbon derived from rice husk. Desalin Water Treat 248:288–299

    CAS  Google Scholar 

  13. Yang Z, Zhao Z, Yang X, Ren Z (2021) Xanthate modified magnetic activated carbon for efficient removal of cationic dyes and tetracycline hydrochloride from aqueous solutions. Colloid Surf A-Physicochem Eng Asp 615:126273

    CAS  Google Scholar 

  14. Sahu N, Singh J, Koduru JR (2021) Removal of arsenic from aqueous solution by novel iron and iron–zirconium modified activated carbon derived from chemical carbonization of Tectona grandis sawdust: Isotherm, kinetic, thermodynamic and breakthrough curve modelling. Environ Res 200:111431

    CAS  Google Scholar 

  15. Tian C, Feng C, Wei M, Wu Y (2018) Enhanced adsorption of anionic toxic contaminant Congo Red by activated carbon with electropositive amine modification. Chemosphere 208:476–483

    CAS  Google Scholar 

  16. Eskandari P, Farhadian M, Solaimany Nazar AR, Goshadrou A (2021) Cyanide adsorption on activated carbon impregnated with ZnO, Fe2O3, TiO2 nanometal oxides: a comparative study. Int J Environ Sci Technol 18:297–316

    CAS  Google Scholar 

  17. Baur GB, Spring J, Kiwi-Minsker L (2018) Amine functionalized activated carbon fibers as effective structured adsorbents for formaldehyde removal. Adsorpt J Int Adsorpt Soc 24:725–732

    CAS  Google Scholar 

  18. Xu GM, Chen B, Guo B, He DX, Yao SZ (2011) Detection of intermediates for the Eschweiler-Clarke reaction by liquid-phase reactive desorption electrospray ionization mass spectrometry. Analyst 136:2385–2390

    CAS  Google Scholar 

  19. Zhao WB, Liu B, Chen J (2014) Preparation of amino-modified pan fibers with triethylenetetramine as aminating reagents and their application in CO2 adsorption. J Nanomater 13:24–33

    Google Scholar 

  20. Ge HC, Ma ZW (2015) Microwave preparation of triethylenetetramine modified graphene oxide/chitosan composite for adsorption of Cr (VI). Carbohydr Polym 131:280–287

    CAS  Google Scholar 

  21. Ngamkitpinyo N, Imyim A (2015) Selective extraction of Pb (II) using triethylenetetramine-modified polystyrene-divinylbenzene resin. J Mater Environ Sci 6:1562–1569

    CAS  Google Scholar 

  22. Li ZH, Chang PH, Jiang WT (2019) Mechanisms of Cu2+, triethylenetetramine (TETA), and Cu-TETA sorption on rectorite and its use for metal removal via metal-TETA complexation. J Hazard Mater 373:187–196

    CAS  Google Scholar 

  23. Huang Y, Cheng QF, Wang Z, Liu SY, Zou CW, Guo JS, Guo XJ (2020) Competitive adsorption of benzene and water vapor on lignite-based activated carbon: Experiment and molecular simulation study. Chem Eng J 398:125557

    CAS  Google Scholar 

  24. An YX, Fu Q, Zhang DH, Wang YY, Tang ZL (2019) Performance evaluation of activated carbon with different pore sizes and functional groups for VOC adsorption by molecular simulation. Chemosphere 227:9–16

    CAS  Google Scholar 

  25. Kowalczyk P, Miyawaki J, Azuma Y, Yoon SH, Nakabayashi K, Gauden PA, Furmaniak S, Terzyk AP, Wisniewski M, Wloch J, Kaneko K, Neimark AV (2017) Molecular simulation aided nanoporous carbon design for highly efficient low-concentrated formaldehyde capture. Carbon 124:152–160

    CAS  Google Scholar 

  26. Kohmuean P, Inthomya W, Wongkoblap A, Tangsathitkulchai C (2021) Monte Carlo Simulation and Experimental Studies of CO2, CH4 and Their Mixture Capture in Porous Carbons. Molecules 26:2413

    CAS  Google Scholar 

  27. Segarra EI, Glandt ED (1994) Model microporous carbons: microstructure, surface polarity and gas adsorption. Chem Eng Sci 49:2953–2965

    CAS  Google Scholar 

  28. Li S, Song KL, Zhao DF, Rugarabamu JR, Diao R, Gu YY (2020) Molecular simulation of benzene adsorption on different activated carbon under different temperatures. Microporous Mesoporous Mat 302:110220

    CAS  Google Scholar 

  29. Jaramillo J, Álvarez PM, Gómez-Serrano V (2010) Preparation and ozone-surface modification of activated carbon. Thermal stability of oxygen surface groups. Appl Surf Sci 256:5232–5236

    CAS  Google Scholar 

  30. Fan X, Parker DJ, Smith MD (2003) Preparation and ozone-surface modification of activated carbon Thermal stability of oxygen surface groups. Water Res 37:4929–4937

    CAS  Google Scholar 

  31. Kilic M, Varol EA, Pütün AE (2011) Adsorptive removal of phenol from aqueous solutions on activated carbon prepared from tobacco residues: Equilibrium, kinetics and thermodynamics. J Hazard Mater 189:397–403

    CAS  Google Scholar 

  32. Freundlich H (1907) Über die Adsorption in Lösungen. Z Phys Chem 57:385–470

    CAS  Google Scholar 

  33. Dubinin MM, Radushkevich LV (1947) Proc Acad Sci USSR. Phys Chem Sect 55:331

    Google Scholar 

  34. Febrianto J, Kosasih AN, Sunarso J, Ju YH, Indraswati N, Ismadji S (2009) Equilibrium and kinetic studies in adsorption of heavy metals using biosorbent: A summary of recent studies. J Hazard Mater 162:616–645

    CAS  Google Scholar 

  35. Ho YS, McKay G (1999) Pseudo-second order model for sorption processes. Process Biochem 34:451–465

    CAS  Google Scholar 

  36. Ho YS, McKay G, Wase DAJ, Foster CF (2000) Study of the Sorption of Divalent Metal Ions on to Peat, Adsorp. Sci Technol 18:639–650

    CAS  Google Scholar 

  37. Weber WJ, Morriss JC (1963) Kinetics of Adsorption on Carbon from Solutions. J Sanit Eng Div Am Soc Civil Eng 89:31–60

    Google Scholar 

  38. Mathews JP, Chaffee AL (2012) The molecular representations of coal – A review. Fuel 96:1–14

    CAS  Google Scholar 

  39. Tang XD, Ran G, Li JJ, Zhang ZQ, Xiang CX (2021) Extremely efficient and rapidly adsorb methylene blue using porous adsorbent prepared from waste paper: Kinetics and equilibrium studies. J Hazard Mater 402:123579

    CAS  Google Scholar 

  40. Liu BT, Younis SA, Lee J, Szulejko JE, Dou XM, Kim KH (2021) The competing role of moisture in adsorption of gaseous benzene on microporous carbon. Sep Purif Technol 277:119487

    CAS  Google Scholar 

  41. Sedaghat S, Ahadian MM, Jafarian M, Hatamie S (2019) Model Fuel Deep Desulfurization Using Modified 3D Graphenic Adsorbents: Isotherm, Kinetic, and Thermodynamic Study. Ind Eng Chem Res 58:10341–10351

    CAS  Google Scholar 

  42. Na CJ, Yoo MJ, Tsang DCW, Kim HW, Kim KH (2019) High-performance materials for effective sorptive removal of formaldehyde in air. J Hazard Mater 366:452–465

    CAS  Google Scholar 

  43. Liu L, Tan SJ, Horikawa T, Do DD, Liu JJ (2017) Water adsorption on carbon - A review. Adv Colloid Interface Sci 250:64–78

    CAS  Google Scholar 

  44. Gu ZK, Zhu CY, Huang ZQ, Xu MH, Gong L (2021) Numerical simulations on the adsorption characteristics of aromatics on activated carbon by the GCMC method. Case Stud Therm Eng 26:101116

    Google Scholar 

  45. Degs YS, Barghouthi MI, El-Sheikh AH, Walker GM (2008) Effect of solution pH, ionic strength, and temperature on adsorption behavior of reactive dyes on activated carbon. Dyes Pigment 77:16–23

    Google Scholar 

  46. Tsai JH, Chiang HM, Huang GY, Chiang HL (2008) Adsorption characteristics of acetone, chloroform and acetonitrile on sludge-derived adsorbent, commercial granular activated carbon and activated carbon fibers. J Hazard Mater 154:1183–1191

    CAS  Google Scholar 

  47. Recepoglu YK, Goren AY, Orooji Y, Khataee A (2022) Carbonaceous materials for removal and recovery of phosphate species: Limitations, successes and future improvement. Chemosphere 2:287

    Google Scholar 

  48. Tran HN, Tomul F, Ha NTH, Nguyen DT, Lima EC, Le GT, Chang CT, Masindi V, Woo SH (2020) Innovative spherical biochar for pharmaceutical removal from water: Insight into adsorption mechanism. J Hazard Mater 394:122255

    CAS  Google Scholar 

  49. Chen L, Zuo L, Jiang ZX, Jiang S, Liu KY, Tan JQ, Zhang LC (2019) Mechanisms of shale gas adsorption: Evidence from thermodynamics and kinetics study of methane adsorption on shale. Chem Eng J 361:559–570

    CAS  Google Scholar 

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Acknowledgements

This research is supported by the National Natural Science Foundation of China (No. 21978330).

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Authors and Affiliations

  1. School of Materials Science and Engineering, Guangdong Engineering Center for Petrochemical Energy Conservation, The Key Laboratory of Low-Carbon Chemistry & Energy Conservation of Guangdong Province, Sun Yat-Sen University, Xiaoguwei Island, Panyu District, Guangzhou, 510006, People’s Republic of China

    Qi Zhang, Xiang C. Ma, Chang He, Qing L. Chen & Bing J. Zhang

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  1. Qi Zhang
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Zhang, Q., Ma, X.C., He, C. et al. Experiment and molecular simulation for liquid phase adsorption of triethylenetetramine on activated carbon: equilibrium, kinetics, thermodynamics and molecular behavior. Carbon Lett. 33, 1977–1991 (2023). https://doi.org/10.1007/s42823-023-00589-x

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  • DOI: https://doi.org/10.1007/s42823-023-00589-x

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