Adsorption of industrial dyes on functionalized and nonfunctionalized asphaltene: A combined molecular dynamics and quantum mechanics study
Abdul Rajjak Shaikh, Mohit Chawla, Ahmed Abdi Hassan, Ismail Abdulazeez, Omobayo A. Salawu, Mohammad Nahid Siddiqui, Shamsh Pervez, Luigi Cavallo
Topics & Concepts
Bromophenol blueAdsorptionAsphalteneMethylene blueChemistryDensity functional theoryMethyl orangeMolecular dynamicsQuantum chemistryComputational chemistryOrganic chemistryChemical engineeringPhotochemistryMoleculeChromatographyPhotocatalysisSupramolecular chemistryCatalysisEngineeringPetroleum Processing and AnalysisFree Radicals and AntioxidantsSpectroscopy and Quantum Chemical Studies