Abstract
Amoxicillin, ampicillin, and cloxacillin are three semi-synthetic antibiotic compounds that pollute wastewaters. Antibiotic compounds demonstrate resistance against conventional wastewater treatment methods; this can cause the development of some bacteria that can resist antibiotic compounds. Therefore, novel methods have been suggested for these contaminant treatments. Adsorption is an effective method to eliminate such contaminations. MXenes are 2D materials that can be used as adsorption elements due to their high surface area and chemical stability. This work applies three MXenes (Mn2C, Ti2C, and V2C) as removal agents for mentioned antibiotic compounds using molecular dynamic simulations (MD). According to the results of analyses, Ti2C exhibited the best performance among MXenes, which are appropriate materials for the adsorption of antibiotic compounds. It adsorbed 100%, 88%, and 44% of cloxacillin, amoxicillin, and ampicillin molecules, respectively. Also, it has been shown that functionalizing MXene using hydroxyl and amine groups results in more antibiotic adsorption intensity. Also, this work has shown that Ti2C is a reusable adsorbent. Finally, this work could develop the application of reusable MXenes in removing antibiotics from aqueous mediums.
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