Latest advances in layered covalent organic frameworks for water and wastewater treatment

Xia, Changlei; Joo, Sang‐Woo; Hojjati–Najafabadi, Akbar; Xie, Haiyang; Wu, Yingji; Mashifana, Tebogo; Vasseghian, Yasser

doi:10.1016/j.chemosphere.2023.138580

Cited by 40 publications

(15 citation statements)

References 95 publications

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“…29 Arsenic removal involves chemisorption, forming inner-sphere complexes during the removal process in which As(V) directly binds to oxygen. 4 Many experimental studies for arsenic removal from water have been reported by using different adsorbents. Initially, iron and Al(OH) 3 were investigated experimentally for arsenic removal from water.…”

Section: Introductionmentioning

confidence: 99%

“…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%

“…Among these adsorbents, metal oxides and hydroxides can eliminate arsenic more effectively, since surface functional groups, typical oxygen-containing groups, assist in its removal . Arsenic removal involves chemisorption, forming inner-sphere complexes during the removal process in which As(V) directly binds to oxygen …”

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%

See 1 more Smart Citation

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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“…However, the limited practical application of Pt catalysts in DMFCs is mainly attributed to their low utilization efficiency and high cost per unit area. Advances in nanotechnology have accelerated progress in many fields. − To overcome this challenge, researchers have explored different types of carbon supports including single-walled carbon nanotubes, multiwalled carbon nanotubes, cup-stacked-type carbon nanotubes, and graphitic carbon nanofibers. These carbon supports exhibit excellent conductivity and serve as effective platforms for uniformly dispersing platinum nanoparticles (Pt NPs). ,− …”

Section: Introductionmentioning

confidence: 99%

Production of Sustainable Low-Layer Graphene by Green Synthesis at Room Conditions for Platinum-Based Direct Methanol Fuel Cell

Erduran,

Bayat,

Isik

et al. 2023

ACS Eng. Au

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“…Narrow-spectrum antibiotics are designed to act upon a limited/targeted bacterial species, while broad-spectrum antibacterials have a wide range of application cutting across bacterial control in human and veterinary medicine . Studies have reported that an antibiotic could not be totally digested and is therefore released to the environment, , hence causing adverse environmental contamination and multidrug resistance.…”

Section: Introductionmentioning

confidence: 99%

Impact of Polythiophene ((C₄H₄S)_n; n = 3, 5, 7, 9) Units on the Adsorption, Reactivity, and Photodegradation Mechanism of Tetracycline by Ti-Doped Graphene/Boron Nitride (Ti@GP_BN) Nanocomposite Materials: Insights from Computational Study

Agurokpon,

Louis,

Benjamin

et al. 2023

ACS Omega

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This study addresses the formidable persistence of tetracycline (TC) in the environment and its adverse impact on soil, water, and microbial ecosystems. To combat this issue, an innovative approach by varying polythiophene ((C4H4S) n ; n = 3, 5, 7, 9) units and the subsequent interaction with Ti-doped graphene/boron nitride (Ti@GP_BN) nanocomposites was applied as catalysts for investigating the molecular structure, adsorption, excitation analysis, and photodegradation mechanism of tetracycline within the framework of density functional theory (DFT) at the B3LYP-gd3bj/def2svp method. This study reveals a compelling correlation between the adsorption potential of the nanocomposites and their corresponding excitation behaviors, particularly notable in the fifth and seventh units of the polythiophene configuration. These units exhibit distinct excitation patterns, characterized by energy levels of 1.3406 and 924.81 nm wavelengths for the fifth unit and 1.3391 and 925.88 nm wavelengths for the seventh unit. Through exploring deeper, the examination of the exciton binding energy emerges as a pivotal factor, bolstering the outcomes derived from both UV–vis transition analysis and adsorption exploration. Notably, the calculated exciton binding energies of 0.120 and 0.103 eV for polythiophene units containing 5 and 7 segments, respectively, provide compelling confirmation of our findings. This convergence of data reinforces the integrity of our earlier analyses, enhancing our understanding of the intricate electronic and energetic interplay within these intricate systems. This study sheds light on the promising potential of the polythiophene/Ti-doped graphene/boron nitride nanocomposite as an efficient candidate for TC photodegradation, contributing to the advancement of sustainable environmental remediation strategies. This study was conducted theoretically; hence, experimental studies are needed to authenticate the use of the studied nanocomposites for degrading TC.

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Latest advances in layered covalent organic frameworks for water and wastewater treatment

Cited by 40 publications

References 95 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

Production of Sustainable Low-Layer Graphene by Green Synthesis at Room Conditions for Platinum-Based Direct Methanol Fuel Cell

Impact of Polythiophene ((C₄H₄S)_n; n = 3, 5, 7, 9) Units on the Adsorption, Reactivity, and Photodegradation Mechanism of Tetracycline by Ti-Doped Graphene/Boron Nitride (Ti@GP_BN) Nanocomposite Materials: Insights from Computational Study

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Latest advances in layered covalent organic frameworks for water and wastewater treatment

Cited by 40 publications

References 95 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

Production of Sustainable Low-Layer Graphene by Green Synthesis at Room Conditions for Platinum-Based Direct Methanol Fuel Cell

Impact of Polythiophene ((C4H4S)n; n = 3, 5, 7, 9) Units on the Adsorption, Reactivity, and Photodegradation Mechanism of Tetracycline by Ti-Doped Graphene/Boron Nitride (Ti@GP_BN) Nanocomposite Materials: Insights from Computational Study

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Impact of Polythiophene ((C₄H₄S)_n; n = 3, 5, 7, 9) Units on the Adsorption, Reactivity, and Photodegradation Mechanism of Tetracycline by Ti-Doped Graphene/Boron Nitride (Ti@GP_BN) Nanocomposite Materials: Insights from Computational Study