Molecular insights through computational modeling of methylene blue adsorption onto low-cost adsorbents derived from natural materials: A multi-model's approach

Title
Molecular insights through computational modeling of methylene blue adsorption onto low-cost adsorbents derived from natural materials: A multi-model's approach
Authors
Keywords
Methylene blue, Statistical physics, Activated carbon, Isosteric heat of adsorption, DFT, Monte Carlo simulation
Journal
COMPUTERS & CHEMICAL ENGINEERING
Volume 140, Issue -, Pages 106965
Publisher
Elsevier BV
Online
2020-06-06
DOI
10.1016/j.compchemeng.2020.106965

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