Adsorption mechanism of polyacrylamide on kaolinite surface in the presence of Ca2+: Insights from DFT calculation

2021 ◽  
pp. 138672
Author(s):  
Zhijun Zhang ◽  
Ziting Yuan ◽  
Li Zhuang ◽  
Jun Chai
Langmuir ◽  
2019 ◽  
Vol 35 (47) ◽  
pp. 15106-15113 ◽  
Author(s):  
Xiaoping Huang ◽  
Yun Jia ◽  
Shuai Wang ◽  
Xin Ma ◽  
Zhanfang Cao ◽  
...  

2017 ◽  
Vol 6 (3) ◽  
pp. 141-152 ◽  
Author(s):  
Sara Ghezali ◽  
Amina Mahdad-Benzerdjeb

The aim of this work is to explore the adsorption process of an organic pollutant the 2,4,6-trichlorophenol on the clay mineral (kaolinite) surface in order to identify the sites of adsorption as well as conformations corresponding to the lowest energies. Ab-initio calculations have been used to investigate the adsorption process using a representative cluster model. According to the results obtained on the various studied models, the orientation of TCP on the surfaces clay affect the parameters such as : HOMO-LUMO energy gap, the enthalpy change (ΔH), the thermal Gibbs free energy (ΔG) and entropy contribution (ΔS). The results point out a preferential adsorption of TCP on the octahedral surface and the NBO analysis indicates that the electron donor-acceptor complex was the dominant adsorption mechanism.


Toxins ◽  
2021 ◽  
Vol 13 (7) ◽  
pp. 434
Author(s):  
Pascaline Bahati ◽  
Xuejun Zeng ◽  
Ferdinand Uzizerimana ◽  
Ariunsaikhan Tsoggerel ◽  
Muhammad Awais ◽  
...  

In the food industry, microbiological safety is a major concern. Mycotoxin patulin represents a potential health hazard, as it is heat-resistant and may develop at any stage during the food chain, especially in apple-based products, leading to severe effects on human health, poor quality products, and profit reductions. The target of the study was to identify and characterize an excellent adsorbent to remove patulin from apple juice efficiently and to assess its adsorption mechanism. To prevent juice fermentation and/or contamination, autoclaving was involved to inactivate bacteria before the adsorption process. The HPLC (high-performance liquid chromatography) outcome proved that all isolated strains from kefir grains could reduce patulin from apple juice. A high removal of 93% was found for juice having a 4.6 pH, 15° Brix, and patulin concentration of 100 μg/L by Lactobacillus kefiranofacien, named JKSP109, which was morphologically the smoothest and biggest of all isolates in terms of cell wall volume and surface area characterized by SEM (Scanning electron microscopy) and TEM (transmission electron microscopy). C=O, OH, C–H, and N–O were the main functional groups engaged in patulin adsorption indicated by FTIR (Fourier transform–infrared). E-nose (electronic nose) was performed to evaluate the aroma quality of the juices. PCA (Principal component analysis) results showed that no significant changes occurred between control and treated juice.


2021 ◽  
pp. 129007
Author(s):  
Yanxia Wang ◽  
Xiude Hu ◽  
Tuo Guo ◽  
Wengang Tian ◽  
Jian Hao ◽  
...  

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