PİRİNÇ KABUK KÜLÜ İLE ENDÜSTRİYEL ATIK SUDAN KADMİYUM İYONUNUN GİDERİLMESİNİN MODELLENMESİNE YÖNELİK BİLGİSAYAR TABANLI BİR YÖNTEM

Rice husk is a significant waste issue due to its high manufacturing rate. The removal of heavy metals from industrial wastewater using the adsorption method is one of the significant usage areas of rice husks. In addition to being more cost-effective than other methods for removing heavy metals from industrial wastewater, using rice husks for this purpose would solve the storage problem of the rice husks. In this study, Gaussian® 0.9 software is utilized to describe and simulate the binding process of the Cd2+ ion to the rice husk adsorbent and to perform geometric optimizations to identify the most stable structure. These optimized structures' adsorption energies were computed utilizing the Material Studio® 6.1 software. According to the findings, rice husks can be utilized as an adsorbent in place of more expensive substances. It has been demonstrated that, when compared to experimental procedures, the suggested strategy is both quicker and less expensive.