Journal ArticleDOI
Mechanistic inference on the reaction kinetics of phenols and anilines in carbon nanotubes-activated peroxydisulfate systems: pp-LFERs and QSARs analyses
TLDR
In this paper, the authors provided mechanistic inference on the non-radical reaction pathway of the carbon nanotubes (CNTs)/persulfate system and the associated kinetics.About:
This article is published in Chemical Engineering Journal.The article was published on 2020-04-01. It has received 35 citations till now. The article focuses on the topics: Peroxydisulfate & Reaction rate constant.read more
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The Intrinsic Nature of Persulfate Activation and N-Doping in Carbocatalysis.
TL;DR: It is illustrated that the roles of nitrogen species in CNT-based persulfate systems are intrinsically different, which provides new insights into the intrinsic roles of heteroatom doping in nanocarbons for persulfates activation and unveils the principles for rational design of reaction-oriented carbocatalysts for pers fulfilment in advanced oxidation processes.
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2D N-Doped Porous Carbon Derived from Polydopamine-Coated Graphitic Carbon Nitride for Efficient Nonradical Activation of Peroxymonosulfate
TL;DR: A "coating-pyrolysis" method to synthesize porous 2D N-rich nanocarbon materials (PCN-x) derived from dopamine and g-C3N4 in different weight proportions is reported, and mechanistic understanding of the critical role of N species during non-radical PMS activation is advanced.
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Nonradicals induced degradation of organic pollutants by peroxydisulfate (PDS) and peroxymonosulfate (PMS): Recent advances and perspective
TL;DR: In this review, nonradical pathways and reaction mechanisms for oxidation of various organic pollutants by PDS and peroxymonosulfate are overviewed and nonradical based persulfate activation mechanisms by metal oxides and carbon materials are updated.
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Activating peroxydisulfate with Co3O4/NiCo2O4 double-shelled nanocages to selectively degrade bisphenol A – A nonradical oxidation process
TL;DR: In this paper, the double-shelled hollow structure of Co3O4/NiCo2O4 nanocages was used as catalysts to activate peroxydisulfate (PDS) for bisphenol A (BPA) degradation.
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Hydroxyl radical dominated elimination of plasticizers by peroxymonosulfate on metal-free boron: Kinetics and mechanisms.
TL;DR: Amorphous boron was applied as a metal-free activator to decompose peroxymonosulfate (PMS) for the degradation of plasticizers in water, and hydroxyl radical was found to be the dominating reactive oxygen species (ROS).
References
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The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
Yan Zhao,Donald G. Truhlar +1 more
TL;DR: The M06-2X meta-exchange correlation function is proposed in this paper, which is parametrized including both transition metals and nonmetals, and is a high-non-locality functional with double the amount of nonlocal exchange.
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Universal solvation model based on solute electron density and on a continuum model of the solvent defined by the bulk dielectric constant and atomic surface tensions.
TL;DR: The SMD model may be employed with other algorithms for solving the nonhomogeneous Poisson equation for continuum solvation calculations in which the solute is represented by its electron density in real space, including, for example, the conductor-like screening algorithm.
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A survey of Hammett substituent constants and resonance and field parameters
Corwin Hansch,A. Leo,R. W. Taft +2 more
TL;DR: The Hammett equation has been widely used for the study and interpretation of organic reactions and their mechanisms as mentioned in this paper, and it is astonishing that u constants, obtained simply from the ionization of organic acids in solution, can frequently predict successfully equilibrium and rate constants for a variety of families of reactions in solution.
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