SIMULATION OF ADSORPTION OF AQUEOUS SOLUTION OF METHYLENE BLUE ON A COMPOSITE OF PHTHALOCYANINE AND ZINC OXIDE

Authors

• Albert R. KOLDAROV, Tashkent Institute of Chemical Technology, Tashkent, UzbekistanFollow
• Mastura Kh. ARIPOVA, Tashkent Institute of Chemical Technology, Tashkent, UzbekistanFollow
• Odilzhon E. ABDURAKHMONOV, Tashkent Institute of Chemical Technology, Tashkent, UzbekistanFollow
• Zuhra Ch. KADIROVA, Tashkent Chemical-Technogical Institute, Uzbekistan Japan Innovation Center of Youth, Tashkent, UzbekistanFollow

Abstract

The aim of this work is to conduct a computer simulation of methylene blue adsorption from an aqueous solution onto a composite photocatalyst based on zinc oxide and zinc phthalocyanine. To understand the mechanisms of intermolecular interaction between the sorbates and the dominant crystal planes of the composite components, adsorption simulation was performed using the BIOVIA Adsorption Locator module. It is shown that the formation of the ZnO/ZnPc heterojunction promotes the synergistic stabilization of adsorbed molecules. The presence of the inorganic ZnO phase mitigates the electrostatic repulsion of chloride anions, ensuring the overall charge balance of the system, while the organic ZnPc phase selectively binds the dye cation.

Recommended Citation

KOLDAROV, Albert R.; ARIPOVA, Mastura Kh.; ABDURAKHMONOV, Odilzhon E.; and KADIROVA, Zuhra Ch. () "SIMULATION OF ADSORPTION OF AQUEOUS SOLUTION OF METHYLENE BLUE ON A COMPOSITE OF PHTHALOCYANINE AND ZINC OXIDE," CHEMISTRY AND CHEMICAL ENGINEERING: Vol. 2026: No. 3, Article 7.
DOI: https://doi.org/10.70189/1992-9498.1748
Available at: https://cce.researchcommons.org/journal/vol2026/iss3/7