Practical approach of As(V) adsorption by fabricating biochar with low basicity from FeCl3 and lignin

Yoon, Kwon Ha; Cho, Dong-Wan; Kwon, Gihoon; Rinklebe, Jörg; Wang, Hailong; Song, Hocheol

doi:10.1016/j.chemosphere.2023.138665

Cited by 19 publications

(8 citation statements)

References 79 publications

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“…Drinking toxic water impacts millions of people worldwide, and our ecosystem has suffered consequently . As population and industrialization rise, access to potable water becomes increasingly challenging. − Arsenic levels in many countries like Pakistan, Bangladesh, China, Taiwan, America, India, and Mexico are alarmingly high. − It has been classified as carcinogenic and poisonous. , It can cause liver, kidney, lung, and bladder cancer if ingested continuously, even in minute amounts (ppb). − The WHO (World Health Organization) current maximum allowable arsenic concentration in drinking water is 10 g/L (ppb). − Nonetheless, many developing nations continue to adhere to the previous guideline of 50 g/L due to inadequate infrastructure and costly water treatment technologies . In July 2018, China hosted the seventh International Congress on Arsenic in the Environment, which included sustainable management and mitigation of arsenic removal .…”

Section: Introductionmentioning

confidence: 99%

“…Arsenic adsorption was favored under acidic pH values and rapidly decreased in basic media . In another recent work, Yoon et al studied As(V) removal utilizing lignin and iron chloride to create biochar with low basicity and found highest As(V) adsorption, with a removal efficiency of >77.6% at the pH range of 3.0–10 . It was also mentioned that both the adsorbent and the adsorbate were involved in the adsorption process; this shows that As(V) was adsorbed by magnetite by a specific chemical reaction (chemisorption).…”

Section: Introductionmentioning

confidence: 99%

“…As(V) binding to magnetite has been described as occurring mostly through chemisorption, which involves the development of bidentate inner-sphere complexes. 12 Xion et al studied schwertmannites and akaganeítes for the adsorption of arsenic ions from contaminated water and found that the adsorption of As(III) and As(V) was a rapid reaction, in line with the pseudo-second-order rate equation. It was also mentioned that iron oxyhydroxides exhibited exceptional adsorption capacities to arsenic species due to their abundant hydratable hydroxyl groups, which can form inner-sphere complexes with arsenic on their surface.…”

Section: Introductionmentioning

confidence: 99%

“…It is effective and affordable, does not require chemical addition, and is simple to use in developing countries with insufficient skilled labor and unstable electricity supplies . These advantages of adsorption have encouraged many researchers to employ it to remove arsenic from drinking water. , In addition, adsorption is considered more adaptable than ion exchange, easier to run and safer to handle than the contaminated sludge produced by coagulation/precipitation, and cheaper than membrane separation . Metal oxides/hydroxides, zeolites, and other adsorbents are commonly used in adsorption .…”

Section: Introductionmentioning

confidence: 99%

“…It was also mentioned that both the adsorbent and the adsorbate were involved in the adsorption process; this shows that As(V) was adsorbed by magnetite by a specific chemical reaction (chemisorption). As(V) binding to magnetite has been described as occurring mostly through chemisorption, which involves the development of bidentate inner-sphere complexes . Xion et al studied schwertmannites and akaganéites for the adsorption of arsenic ions from contaminated water and found that the adsorption of As(III) and As(V) was a rapid reaction, in line with the pseudo-second-order rate equation.…”

Section: Introductionmentioning

confidence: 99%

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Screening of Metal Oxides and Hydroxides for Arsenic Removal from Water Using Molecular Dynamics Simulations

Hira,

Lock,

Arshad

et al. 2023

ACS Omega

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Arsenic in groundwater is a harmful and hazardous substance that must be removed to protect human health and safety. Adsorption, particularly using metal oxides, is a cost-effective way to treat contaminated water. These metal oxides must be selected systematically to identify the best material and optimal operating conditions for the removal of arsenic from water. Experimental research has been the primary emphasis of prior work, which is time-consuming and costly. The previous simulation studies have been limited to specific adsorbents such as iron oxides. It is necessary to study other metal oxides to determine which ones are the most effective at removing arsenic from water. In this work, a molecular simulation computational framework using molecular dynamics and Monte Carlo simulations was developed to investigate the adsorption of arsenic using various potential metal oxides. The molecular structures have been optimized and proceeded with sorption calculations to observe the adsorption capabilities of metal oxides. In this study, 15 selected metal oxides were screened at a pressure of 100 kPa and a temperature of 298 K for As(V) in the form of HAsO 4 at pH 7. Based on adsorption capacity calculations for selected metal oxides/hydroxides, aluminum hydroxide (Al(OH) 3 ), ferric hydroxide (FeOOH), lanthanum hydroxide La(OH) 3 , and stannic oxide (SnO 2 ) were the most effective adsorbents with adsorption capacities of 197, 73.6, 151, and 42.7 mg/g, respectively, suggesting that metal hydroxides are more effective in treating arsenic-contaminated water than metal oxides. The computational results were comparable with previously published literature with a percentage error of 1%. Additionally, SnO 2 , which is rather unconventional to be used in this application, demonstrates potential for arsenic removal and could be further explored. The effects of pH from 1 to 13, temperature from 281.15 to 331.15 K, and pressure from 100 to 350 kPa were studied. Results revealed that adsorption capacity decreased for the high-temperature applications while experiencing an increase in pressure-promoted adsorption. Furthermore, response surface methodology (RSM) has been employed to develop a regression model to describe the effect of operating variables on the adsorption capacity of screened adsorbents for arsenic removal. The RSM models utilizing CCD (central composite design) were developed for Al(OH) 3 , La(OH) 3 , and FeOOH, having R 2 values 0.92, 0.67, and 0.95, respectively, suggesting that the models developed were correct.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

Screening of Metal Oxides and Hydroxides for Arsenic Removal from Water Using Molecular Dynamics Simulations

Hira,

Lock,

Arshad

et al. 2023

ACS Omega

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Remediation of As(V) and Cd(II) Contamination by a ZVI-Biochar: Experimental and DFT Calculation

Liu,

Zhou,

Zhang

et al. 2024

Water Air Soil Pollut

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A novel zero-valent iron loaded biochar (ZVI-CSC) was synthesized in this study for the remediation of As( ) and Cd(II) contamination. The impact of ZVI-CSC on the adsorption performance of As( ) and Cd(II) in solution, as well as their migration properties in soil, were investigated through adsorption kinetics and soil column leaching experiments, respectively. The results showed that the adsorption capacity of As( ) by ZVI-CSC was signi cantly improved to 14.42 g•kg -1 at pH=3, compared with unmodi ed biochar.However, the adsorption capacity of Cd(II) was not improved. In the leaching experiments, the addition of ZVI-CSC to As( )-contaminated soil resulted in a signi cant reduction of cumulative As( ) release rate from 32.26% to 3.11%, compared with CSC. Moreover, the role of ZVI in As(V)/Cd(II) remediation was analyzed. nZVI forms ≡Fe-OH and ≡Fe-OOH due to oxidation, which can form monodentate and bidentate complexes with As(V) via ligand exchange, thus promoting As immobilization. Furthermore, to further improve the adsorption performance of Cd(II), the electrostatic potential (ESP) of biochars with different surface functional group (C=O, C-O-C, -OH and -COOH) and their bond dissociation enthalpy (BDE) with As( ) and Cd(II) were calculated based on density functional theory (DFT). The results showed that -OH was the most effective for As(V) adsorption, and C-O-C was the most effective for Cd(II) adsorption. C=O and -COOH can be used to the simultaneous adsorption of As(V) and Cd(II). Therefore, the surface functional groups of ZVI-CSC can be selectively modi ed to improve its adsorption performance of As( ) and Cd(II).Highlights ZVI-CSC exhibited extraordinary performance of As(V) adsorption in solution.The migration of As(V) in soil was greatly reduced by ZVI-CSC.The shell structure of nZVI oxidation is the main cause of As(V) adsorption.-OH has better adsorption for As(V), while C-O-C is optimal for Cd(II). To improve the simultaneous remediation of As( ) and Cd( ) by ZVI-CSC, the ESP of biochar with different functional groups (C = O, C-O-C, -OH and -COOH) was analyzed based on DFT calculation. According to the results of ESP calculation, the O atom changes the electrostatic potential of biochar edge, promoting the electrostatic attraction and the complexation of AsO 4 3− and Cd 2+ .Moreover, the interaction between As( )/Cd( ) and these functional groups on biochar were also analyzed based on DFT calculation. The results showed that C = O and -COOH can be used for simultaneous adsorption of As(V) and Cd(II),and -OH showed the best adsorption effect for As( ) (ΔE=-147.91 kcal/mol, bond length 2.805Å). C-O-C showed the best adsorption effect for Cd( ) (ΔE=-111.46 kcal/mol, bond length 3.105Å).

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Dynamic variation of dissolved As, Sb, Fe and S in paddy soil triggered by nitrate loading to overlaying water

Yuan,

Zhang,

Gustave

et al. 2024

J Soils Sediments

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Practical approach of As(V) adsorption by fabricating biochar with low basicity from FeCl3 and lignin

Cited by 19 publications

References 79 publications

Screening of Metal Oxides and Hydroxides for Arsenic Removal from Water Using Molecular Dynamics Simulations

Screening of Metal Oxides and Hydroxides for Arsenic Removal from Water Using Molecular Dynamics Simulations

Remediation of As(V) and Cd(II) Contamination by a ZVI-Biochar: Experimental and DFT Calculation

Dynamic variation of dissolved As, Sb, Fe and S in paddy soil triggered by nitrate loading to overlaying water

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