Design of apolar chitosan-type adsorbent for removal of Cu(II) and Pb(II): An experimental and DFT viewpoint of the complexation process

Vieira, Camilla L.; Sanches-Neto, Flávio O.; Carvalho-Silva, Valter H.; Signini, Roberta

doi:10.1016/j.jece.2019.103070

Cited by 27 publications

(4 citation statements)

References 76 publications

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“…where ε ‡ (the activation energy) represents an energetic obstacle for the process to occur and β = 1/k B T is the usual Lagrange multiplier, the "coldness" [2,57]. The exponential Boltzmann-Gibbs distribution P(ε ‡ β) emerges as a limiting case of a power law distribution P N (ε ‡ β) we have shown [1,[58][59][60] that the latter, corresponding to avoiding taking the limit permits that the low temperature deviations in kinetic processes can be described with remarkable consistency in a generality of contexts. This treatment makes explicit the connection of P N (ε ‡ β) distribution with Tsallis statistics [61,62] identifying 1/N with 1 − q, where N is allowed to be continuous and Tsallis q is classically limited in a small range.…”

Section: Avoiding the Thermodynamic Limit Describes Nonlinearities Of Arrhenius Plotsmentioning

confidence: 80%

From the Kinetic Theory of Gases to the Kinetics of Rate Processes: On the Verge of the Thermodynamic and Kinetic Limits

2020

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A variety of current experiments and molecular dynamics computations are expanding our understanding of rate processes occurring in extreme environments, especially at low temperatures, where deviations from linearity of Arrhenius plots are revealed. The thermodynamic behavior of molecular systems is determined at a specific temperature within conditions on large volume and number of particles at a given density (the thermodynamic limit): on the other side, kinetic features are intuitively perceived as defined in a range between the extreme temperatures, which limit the existence of each specific phase. In this paper, extending the statistical mechanics approach due to Fowler and collaborators, ensembles and partition functions are defined to evaluate initial state averages and activation energies involved in the kinetics of rate processes. A key step is delayed access to the thermodynamic limit when conditions on a large volume and number of particles are not fulfilled: the involved mathematical analysis requires consideration of the role of the succession for the exponential function due to Euler, precursor to the Poisson and Boltzmann classical distributions, recently discussed. Arguments are presented to demonstrate that a universal feature emerges: Convex Arrhenius plots (super-Arrhenius behavior) as temperature decreases are amply documented in progressively wider contexts, such as viscosity and glass transitions, biological processes, enzymatic catalysis, plasma catalysis, geochemical fluidity, and chemical reactions involving collective phenomena. The treatment expands the classical Tolman’s theorem formulated quantally by Fowler and Guggenheim: the activation energy of processes is related to the averages of microscopic energies. We previously introduced the concept of “transitivity”, a function that compactly accounts for the development of heuristic formulas and suggests the search for universal behavior. The velocity distribution function far from the thermodynamic limit is illustrated; the fraction of molecules with energy in excess of a certain threshold for the description of the kinetics of low-temperature transitions and of non-equilibrium reaction rates is derived. Uniform extension beyond the classical case to include quantum tunneling (leading to the concavity of plots, sub-Arrhenius behavior) and to Fermi and Bose statistics has been considered elsewhere. A companion paper presents a computational code permitting applications to a variety of phenomena and provides further examples.

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Section: Avoiding the Thermodynamic Limit Describes Nonlinearities Of Arrhenius Plotsmentioning

confidence: 80%

From the Kinetic Theory of Gases to the Kinetics of Rate Processes: On the Verge of the Thermodynamic and Kinetic Limits

2020

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“…Surface functional groups are usually introduced by further functionalization of the substrates, and they always have good affinity for heavy metal ions. Common functional groups include amino groups, carboxyl groups, amide bonds, and sulfhydryl groups [ 24 , 25 , 26 , 27 ].…”

Section: Introductionmentioning

confidence: 99%

The Adsorption of Heavy Metal Ions by Poly (Amidoamine) Dendrimer-Functionalized Nanomaterials: A Review

2022

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Rapid industrialization has resulted in serious heavy metal pollution. The removal of heavy metal ions from solutions is very important for environmental safety and human health. Poly (amidoamine) (PAMAM) dendrimers are artificial macromolecular materials with unique physical and chemical properties. Abundant amide bonds and amino functional groups provide them with a high affinity for heavy metal ions. Herein, PAMAM-functionalized adsorbents are reviewed in terms of different nanomaterial substrates. Approaches in which PAMAM is grafted onto the surfaces of substrates are described in detail. The adsorption isotherms and kinetics of these adsorbents are also discussed. The effects of PAMAM generation, pH, adsorbent dosage, adsorption time, thermodynamics, and ionic strength on adsorption performance are summarized. Adsorption mechanisms and the further functionalization of PAMAM-grafted adsorbents are reviewed. In addition to the positive results, existing problems are also put forward in order to provide a reference for the optimization of PAMAM-grafted adsorbents of heavy metal ions.

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“…Industries such as mining, smelting, batteries, and chemical production release certain heavy metals into surface and groundwater supplies, resulting in negative 276 Micro-structured Materials for the Removal of Heavy Metals using a Natural Polymer Composite environmental effects (Duan et al, 2020). In recent years, adsorption-based methods have been employed to investigate the removal of heavy metal ions from wastewater (Gupta et al, 2012;Salah et al, 2014;Zhang et al, 2018;Vieira et al, 2019;Kusrini et al, 2020a;Kusrini et al, 2020b). Adsorption is typically employed in industries due to its high efficiency and cost-effectiveness (Kusrini et al, 2019a;Kusrini et al, 2019b;Kusrini et al, 2019c).…”

Section: Introductionmentioning

confidence: 99%

“…Adsorption is typically employed in industries due to its high efficiency and cost-effectiveness (Kusrini et al, 2019a;Kusrini et al, 2019b;Kusrini et al, 2019c). Some polymers and synthetic materials, such as chitosan (CHN), hydroxyapatite (HAP), activated carbon and zeolites have been reportedly used as adsorbents to remove heavy metal ions from aqueous media (Gupta et al 2012;Salah et al, 2014;Zhang et al, 2018;Vieira et al, 2019). HAP has been reported to exhibit high removal capacities for divalent heavy-metal ions (Corami et al, 2007).…”

Section: Introductionmentioning

confidence: 99%

Micro-structured Materials for the Removal of Heavy Metals using a Natural Polymer Composite

Kusrini¹,

Ayuningtyas²,

Mawarni³

et al. 2021

IJTech

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In this study, a precipitation method was employed to prepare a synthetic hydroxyapatite (HAP)/chitosan (CHN) composite by the modification of synthetic HAP with CHN. The HAP/CHN composite was characterized by Fourier transform infrared (FTIR) spectroscopy and scanning electron microscopy equipped with energy-dispersive X-ray spectroscopy (SEM-EDX). Furthermore, the HAP/CHN composite in a 1:1 ratio (wt.%) was investigated as an adsorbent for the removal of heavy metals ions (such as Cr 6+ , Cd 2+ and Zn 2+ ) from simulated wastewater. Adsorption experiments were conducted in batch mode at room temperature. In addition, the effect of process conditions, such as contact time, was evaluated. Kinetic data were well-described by the pseudo-second-order kinetic model, where adsorption was governed by the intraparticle diffusion model. The HAP/CHN composite demonstrated potential utility as an adsorbent for the removal of heavy metals from an aqueous solution, with the highest maximum adsorption capacities of 39.3, 30.8 and 29.9 mg/g for Cr 6+ , Cd 2+ and Zn 2+ , respectively. The HAP/CHN composite materials with variable structure and composition exhibited remarkably different adsorption properties and potential applicability for industrial applications due to the material cost-effectiveness.

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Design of apolar chitosan-type adsorbent for removal of Cu(II) and Pb(II): An experimental and DFT viewpoint of the complexation process

Cited by 27 publications

References 76 publications

From the Kinetic Theory of Gases to the Kinetics of Rate Processes: On the Verge of the Thermodynamic and Kinetic Limits

From the Kinetic Theory of Gases to the Kinetics of Rate Processes: On the Verge of the Thermodynamic and Kinetic Limits

The Adsorption of Heavy Metal Ions by Poly (Amidoamine) Dendrimer-Functionalized Nanomaterials: A Review

Micro-structured Materials for the Removal of Heavy Metals using a Natural Polymer Composite

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