QUANTUM CHEMICAL STUDY OF THE PROCESS OF PURIFICATION OF BIOFUELS FROM FREE FATTY ACIDS BY IONIC LIQUIDS AT THE MOLECULAR LEVEL

Abstract

Today, many scientists, engineers, and other scientists are studying the energy sources of the future. Along the way, various new energy sources are being discovered, such as hydrogen energy, solar energy, wind energy, biofuels and more. In this regard, many scientists are also studying biofuels. Biofuels have many benefits that we know of, such as the very low cost of biofuels compared to current gasoline prices, which emit less greenhouse gasses into the environment, are less flammable, and more. However, today there are a number of problems in the production of biofuels, one of which is the purification of biofuels from unwanted glycerin, methanol, free fatty acids and other unwanted substances. In this case, the free fatty acids in biofuels are flammable and contaminate the car's engines. In this regard, various ionic liquids are now available to purify biofuels from free fatty acids. For example, 1-butyl-3-methylimidazolium dicyanamide can be used to purify free fatty acids from biofuels. Therefore, in this article, we have studied the state of art of purification of free fatty acids in biofuels by 1-butyl-3-methylimidazolium dicyanamide at the molecular level by chemical quantum calculations. In this regard, the study of the binding energy, bond length, and structure of the state of purification of free fatty acids in biofuels by 1-butyl-3-methylimidazolium dicyanamide revealed a strong chemical bond between the ionic liquid and free fatty acid. It was also found that free fatty acids in biofuels are chemically bound to positively and negatively charged nitrogen atoms in ionic liquids. This research will help in the future to rationalize the design of ionic liquids and improve research on the purification of biofuels from free fatty acids.