Kinetics and thermodynamics modeling of Nd(III) removal from aqueous solution using modified Amberlite XAD7

2020 ◽  
Vol 38 (3) ◽  
pp. 306-314
Author(s):  
Petru Negrea ◽  
Andreea Gabor ◽  
Corneliu Mircea Davidescu ◽  
Mihaela Ciopec ◽  
Adina Negrea ◽  
...  
2013 ◽  
Vol 51 (28-30) ◽  
pp. 5638-5648 ◽  
Author(s):  
Muhammad Imran Din ◽  
Zaib Hussain ◽  
Muhammad Latif Mirza ◽  
Muhammad Makshoof Athar ◽  
Asadullah Madni ◽  
...  

2020 ◽  
Vol 92 (3) ◽  
pp. 473-484
Author(s):  
Zoi Salta ◽  
Agnie M. Kosmas ◽  
Oscar N. Ventura

AbstractElectronic structure calculations have been performed to determine the thermochemistry and kinetics of the reaction between OH and the radicals of the S enantiomer of the herbicide Metolachlor, 2-chloro-N-(2-methyl-6-ethylphenyl)-N(2-methoxy-1-methylethyl) acetamide (MC), produced by photoinduced breaking of the C–Cl bond. Both density functional and ab initio composite methods were employed to calculate the structure of reactants, intermediates, transition states and products, in gas phase and in aqueous solution. The expected relative abundance of each product was calculated and compared to the experimentally observed concentrations. It is shown that a combination of thermodynamic and kinetic characteristics interplay to produce the expected theoretical abundances, which turn out to be in agreement with the experimentally observed distribution of products.


2020 ◽  
Vol 26 ◽  
pp. 842-849 ◽  
Author(s):  
M. Tukaram bai ◽  
Osman Shaik ◽  
J. Kavitha ◽  
M.S. Hemanth Varma ◽  
N. Chittibabu

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