Preparation of activated red mud particle adsorbent and its adsorption mechanism for phosphate ions

Li, Longjiang; Zhang, Qin; Li, Xianbo; Cheng, Wei; Ban, Lan

doi:10.5004/dwt.2020.25342

Cited by 5 publications

(11 citation statements)

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“…Local density approximation (LDA) and generalized gradient approximation (GGA), including LDA-CA-PZ, GGA-RPBE, GGA-PBESOL, GGA-PBE, GGA-PW91, and GGA-WC, were used to obtain the structure that best matches the experimental test lattice parameters. The mass content and specific density were obtained using the amorphous cell module for constructing the activated red mud model [19] using Forcite molecular dynamics. The adsorbent and desorbent were placed on the surface of the activated red mud model, and molecular dynamics relaxation was performed.…”

Section: Construction Of Desorption Modelmentioning

confidence: 99%

“…Bahamon studied the pollutant adsorption mechanism of activated carbon using this method [18]. Li studied the adsorption mechanism of phosphorus by the components of red mud [19]. Square studied the adsorption of phosphate anion on Pt(1 1 1) surface using the Monte Carlo method and density functional theory [20].…”

Section: Introductionmentioning

confidence: 99%

“…7.15 (Al 7.2 Si 8.8 O 32 ):Al 0.536 Ca 3 Fe 1.656 Si 2.805 O 12 :Fe 2 O 3 : (Na 7.54 (CO 3 )) (Si 6 Al 6 O 24 )(H2O) 1.5 :SiO 2 :CaMg (CO 3 ) 2 (W/%) = 46.53%:33.36%:14.33%:4.15%:1.51%:0.11% of the periodically repeating unit cell in the 52.1 Å 52.1 Å 52.1 Å periodic box. As the hybrid system contained a large number of component structures, including covalent and proximate molecules, polymers and crystals, the universal force field was chosen for optimization(figure2)[19].Geometrically optimised activated red mud protocells, Ball and stick for the ball and stick model indicates the radius of the sphere of atoms, CPK indicates that the atoms will be rendered as a sphere with radius correlated to the van der Waals (vdW) radius of the atoms, Polyhedron indicates that solid coordination polyhedra are drawn around the cations, with the number of corners corresponding to the number of coordination sites, as defined by the bond connectivity, the H 2 PO 4 Phosphoric acid is a ternary acid with four forms of existence in aqueous solution, and the pH of the waste solution was 4. At pH 2.12-7.20, phosphorus in the solution mainly exists as H 2 PO 4…”

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confidence: 99%

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Phosphorus adsorbed by HCl desorption–activated red mud adsorbents: a molecular dynamics studys

Li,

Yang,

Qiu

et al. 2024

Mater. Res. Express

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In this study, modified red mud after phosphorus adsorption was used as the adsorbent, and hydrochloric acid and deionized water were used as desorbents to desorb phosphorus. The components in the adsorbent were optimized based on density functional theory, and adsorbent and desorbent models were established. Molecular dynamics simulation was performed to determine the phosphorus concentration before and after desorption, interaction energies, radial distribution function(RDF), mean-square displacement(MSD), and diffusion coefficient. The Monte Carlo method was used to simulate the desorption isotherm, desorption site, heat of desorption, and desorption energy. Simulation results showed that deionized water could only desorb phosphorus on the adsorbent surface, and the stability of the system deteriorated upon adding hydrochloric acid. Hydrochloric acid destroyed the ionic and hydrogen bonding between the O atoms in H2PO4− and reactive metal and oxygen atoms in the activated red mud particles. Moreover, the van der Waals force decreased considerably. The ionic and hydrogen bonds between H2PO4− and the surface of activated red mud particles were broken by hydrochloric acid, which accelerated the desorption of phosphorus from the adsorbent surface. The interaction between hydrochloric acid and phosphorus accelerated the diffusion, which decreased the adsorption capacity. Moreover, the desorption capacity increased with increasing temperature.

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Section: Construction Of Desorption Modelmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

mentioning

confidence: 99%

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Phosphorus adsorbed by HCl desorption–activated red mud adsorbents: a molecular dynamics studys

Li,

Yang,

Qiu

et al. 2024

Mater. Res. Express

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“…It is found that cancrinite is not only the main component in RM, but also has stronger adsorption capacity for phosphate ions than other main components [25]. However, its adsorption mechanism is not clear.…”

Section: Introductionmentioning

confidence: 95%

Adsorption of phosphate by cancrinite in red mud: a first-principles study

Zhou

Qiu

et al. 2022

Mater. Res. Express

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Cancrinite is the key substance that affects the adsorption effect of phosphate from red mud(RM) . Therefore, cancrinite in RM was modified to improve its adsorption performance. Based on density functional theory(DTF), this paper optimized the structure of cancrinite, the main component of red mud, modified the cancrinite with sodium dodecyl benzene sulfonate, and studied the surface wettability changes of cancrinite before and after modification through dynamics relaxation. The effects of wetting modification on the adsorption properties of cancrinite were studied by molecular dynamics simulation of radial distribution function, adsorption site , adsorption energy and mean square displacement. Research shows that modified cancrinite Surface wettability increased by 77%, also has more adsorption sites, adsorption energy is smaller, diffusion process is accelerated, so the adsorption capacity is stronger. This study lays a theoretical foundation for enhancing the adsorption of phosphate from wastewater by RM.

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“…In the adsorption theory of adsorbents, generally good adsorbents, along with the research of adsorption, have to be considered for desorption, regeneration, and utilization [ 22 ]. Judging the combined effect of the influencing factors on the RM adsorbent is mainly based on the following: the adsorbent must have a large specific surface area, high adsorption capacity and removal amount, and a certain degree of water resistance strength, be capable of regeneration and reuse, cheap, and not pollute the environment.…”

Section: Introductionmentioning

confidence: 99%

Formulation Optimization and Performance Prediction of Red Mud Particle Adsorbents Based on Neural Networks

Li,

Wang,

Wang

2024

Molecules

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Red mud (RM), a bauxite residue, contains hazardous radioactive wastes and alkaline material and poses severe surface water and groundwater contamination risks, necessitating recycling. Pretreated RM can be used to make adsorbents for water treatment. However, its performance is affected by many factors, resulting in a nonlinear correlation and coupling relationship. This study aimed to identify the best formula for an RM adsorbent using a mathematical model that examines the relationship between 11 formulation types (e.g., pore-assisting agent, component modifier, and external binder) and 9 properties (e.g., specific surface area, wetting angle, and Zeta potential). This model was built using a back-propagation neural network (BP) based on single-factor experimental data and orthogonal experimental data. The model trained and predicted the established network structure to obtain the optimal adsorbent formula. The RM particle adsorbents had a pH of 10.16, specific surface area (BET) of 48.92 m2·g−1, pore volume of 2.10 cm3·g−1, compressive strength (ST) of 1.12 KPa, and 24 h immersion pulverization rate (ηm) of 3.72%. In the removal of total phosphorus in flotation tailings backwater, it exhibited a good adsorption capacity (Q) and total phosphorous removal rate (η) of 48.63 mg·g−1 and 95.13%, respectively.

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Preparation of activated red mud particle adsorbent and its adsorption mechanism for phosphate ions

Cited by 5 publications

References 0 publications

Phosphorus adsorbed by HCl desorption–activated red mud adsorbents: a molecular dynamics studys

Phosphorus adsorbed by HCl desorption–activated red mud adsorbents: a molecular dynamics studys

Adsorption of phosphate by cancrinite in red mud: a first-principles study

Formulation Optimization and Performance Prediction of Red Mud Particle Adsorbents Based on Neural Networks

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