Thermal Decomposition Kinetics of Glyphosate (GP) and its Metabolite Aminomethylphosphonic Acid (AMPA)

2019 ◽  
Author(s):  
Milad Narimani ◽  
Gabriel da Silva
Keyword(s):  
Thermal Decomposition ◽  
Reaction Rate ◽  
Decomposition Kinetics ◽  
Rate Theory ◽  
Thermal Decomposition Mechanism ◽  
Treatment Processes ◽  
Aminomethylphosphonic Acid ◽  
Reaction Rate Theory ◽  
Decomposition Chemistry ◽  
Kinetics Of

Glyphosate (GP) is a widely used herbicide worldwide, yet accumulation of GP and its main byproduct, aminomethylphosphonic acid (AMPA), in soil and water has raised concerns about its potential effects to human health. Thermal treatment processes are one option for decontaminating material containing GP and AMPA, yet the thermal decomposition chemistry of these compounds remains poorly understood. Here, we have revealed the thermal decomposition mechanism of GP and AMPA by applying computational chemistry and reaction rate theory methods. <br>

Thermal Decomposition Kinetics of Glyphosate (GP) and its Metabolite Aminomethylphosphonic Acid (AMPA)

2019 ◽  
Author(s):  
Milad Narimani ◽  
Gabriel da Silva
Keyword(s):  
Thermal Decomposition ◽  
Reaction Rate ◽  
Decomposition Kinetics ◽  
Rate Theory ◽  
Thermal Decomposition Mechanism ◽  
Treatment Processes ◽  
Aminomethylphosphonic Acid ◽  
Reaction Rate Theory ◽  
Decomposition Chemistry ◽  
Kinetics Of

Glyphosate (GP) is a widely used herbicide worldwide, yet accumulation of GP and its main byproduct, aminomethylphosphonic acid (AMPA), in soil and water has raised concerns about its potential effects to human health. Thermal treatment processes are one option for decontaminating material containing GP and AMPA, yet the thermal decomposition chemistry of these compounds remains poorly understood. Here, we have revealed the thermal decomposition mechanism of GP and AMPA by applying computational chemistry and reaction rate theory methods. <br>

Thermal Decomposition Kinetics of Glyphosate (GP) and its Metabolite Aminomethylphosphonic Acid (AMPA)

2019 ◽  
Author(s):  
Milad Narimani ◽  
Gabriel da Silva
Keyword(s):  
Thermal Decomposition ◽  
Reaction Rate ◽  
Decomposition Kinetics ◽  
Rate Theory ◽  
Thermal Decomposition Mechanism ◽  
Treatment Processes ◽  
Aminomethylphosphonic Acid ◽  
Reaction Rate Theory ◽  
Decomposition Chemistry ◽  
Kinetics Of

Glyphosate (GP) is a widely used herbicide worldwide, yet accumulation of GP and its main byproduct, aminomethylphosphonic acid (AMPA), in soil and water has raised concerns about its potential effects to human health. Thermal treatment processes are one option for decontaminating material containing GP and AMPA, yet the thermal decomposition chemistry of these compounds remains poorly understood. Here, we have revealed the thermal decomposition mechanism of GP and AMPA by applying computational chemistry and reaction rate theory methods. <br>

Decomposition Kinetics of Perfluorinated Sulfonic Acids

2019 ◽  
Author(s):  
Muhammad Yasir Khan ◽  
SUI SO ◽  
Gabriel da Silva
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Reaction Rate ◽  
Theoretical Study ◽  
Decomposition Kinetics ◽  
Rate Theory ◽  
Sulfonic Acids ◽  
Functional Theory ◽  
Reaction Rate Theory ◽  
Kinetics Of

A theoretical study of the decomposition kinetics of PFOS and other perfluorinated sulfonic acids, using density functional theory, wavefunction theory, and statistical reaction rate theory techniques.<br>

Decomposition Kinetics of Perfluorinated Sulfonic Acids

2019 ◽  
Author(s):  
Muhammad Yasir Khan ◽  
SUI SO ◽  
Gabriel da Silva
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Reaction Rate ◽  
Theoretical Study ◽  
Decomposition Kinetics ◽  
Rate Theory ◽  
Sulfonic Acids ◽  
Functional Theory ◽  
Reaction Rate Theory ◽  
Kinetics Of

A theoretical study of the decomposition kinetics of PFOS and other perfluorinated sulfonic acids, using density functional theory, wavefunction theory, and statistical reaction rate theory techniques.<br>

Thermal Decomposition and Isomerization of Furfural and 2-Pyrone: A Theoretical Kinetic Study

2020 ◽  
Author(s):  
Saddam Al-Hammadi ◽  
Gabriel da Silva
Keyword(s):  
Thermal Decomposition ◽  
Kinetic Study ◽  
Gas Phase ◽  
Quantum Chemical ◽  
Reaction Rate ◽  
Rate Theory ◽  
Reaction Rate Theory ◽  
Reaction Channels

We have studied the decomposition and isomerization of furfural in the gas-phase using quantum chemical and statistical reaction rate theory techniques. This work uncovers a variety of new reaction channels...

A Kinetic Model of Precipitate Evolution

1995 ◽  
Vol 398 ◽  
Author(s):  
C. Lane Rohrer ◽  
M. D. Asta ◽  
S. M. Foiles ◽  
R. W. Hyland
Keyword(s):  
Point Defects ◽  
Reaction Rate ◽  
Al Alloys ◽  
Computational Method ◽  
Rate Theory ◽  
Homogeneous Precipitation ◽  
Temperature Dependent ◽  
Reaction Rate Theory ◽  
Chemical Reaction Rate ◽  
Kinetics Of

ABSTRACTChemical reaction rate theory is used to model the kinetics of precipitation reactions in Al alloys, including the effects of continuous cooling and thermally generated point defects. The computational method models the processes of nucleation, growth, and coarsening within a single framework. Calculated time and temperature dependent precipitate number densities and sizes during the homogeneous precipitation of the A13Sc phase in an Al-.11 at% Sc alloy are shown to compare favorably with experimental observations.

Thermal decomposition kinetics of glyphosate (GP) and its metabolite aminomethylphosphonic acid (AMPA)

2020 ◽  
Vol 22 (1) ◽  
pp. 152-160 ◽  
Author(s):  
Milad Narimani ◽  
Gabriel da Silva
Keyword(s):  
Thermal Decomposition ◽  
Human Health ◽  
Decomposition Kinetics ◽  
Thermal Decomposition Kinetics ◽  
Aminomethylphosphonic Acid ◽  
Kinetics Of ◽  
Soil And Water

Glyphosate (GP) is a widely used herbicide worldwide, yet accumulation of GP and its main byproduct, aminomethylphosphonic acid (AMPA), in soil and water has raised concerns about its potential effects on human health.

scholarly journals Thermal Decomposition Kinetics of Rare Earth Minerals in Tailings with Addition of MgO

Metals ◽  
2021 ◽  
Vol 11 (5) ◽  
pp. 701
Author(s):  
Yan Zhou ◽  
Shizhe Song ◽  
Jianxing Liu ◽  
Gongjin Cheng ◽  
He Yang ◽  
...  
Keyword(s):  
Thermal Decomposition ◽  
Rare Earth ◽  
Decomposition Rate ◽  
Reaction Rate ◽  
Decomposition Kinetics ◽  
Rare Earth Minerals ◽  
Bayan Obo ◽  
Roasting Temperature ◽  
Kinetics Of ◽  
Magnetizing Roasting

Due to the advantage in deactivating fluorine and enhancing the decomposition of rare earth (RE) minerals, MgO was applied to the magnetizing roasting of Bayan Obo tailings in this work. The effects of MgO dosages, roasting temperature, and holding time on the decomposition rate of RE minerals were experimentally studied. With a MgO dosage of 10 wt.%, the decomposition rate of RE minerals reached 98.09% at 750 °C. The phase composition of roasted samples was characterized by XRD and SEM-EDS. The incomplete decomposition rate was investigated with the observation of leaching residual by SEM-EDS. The decomposition kinetics of the RE minerals with the addition of MgO was analyzed with the Ginstling-Brundshtein model, where the reaction rate was controlled by chemical reaction.

Theoretical Prediction of Gas-Phase Nucleation Kinetics of SiO

1993 ◽  
Vol 334 ◽  
Author(s):  
Michael R. Zachariah ◽  
Wing Tsang
Keyword(s):  
Reaction Rate ◽  
Rate Coefficients ◽  
Rate Theory ◽  
Nucleation Kinetics ◽  
Theory Analysis ◽  
Reaction Rate Theory ◽  
Equilibrium Structures ◽  
Phase Nucleation ◽  
Rate Limiting ◽  
Kinetics Of

AbstractThis paper describes the application of ab-initio molecular orbital (MO) theories in conjunction with reaction rate theory to obtain thermochemistry and energetics of nucleation processes. The specific example used for the illustration of this approach is the nucleation of SiO. MO computations on the equilibrium structures have shown the polymers up to the tetramer to be planar rings and exothermic to addition of the monomer. Transition state analysis has shown that subsequent addition of the monomer (SiO) most likely proceeds without an energy barrier. Reaction rate theory analysis of the polymerization shows the rate coefficients to be very pressure dependent, with the dimer formation process rate limiting. Oxidation of clusters however showed a substantial barrier which should result in oxygen deficient clusters.

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