Extraction of Honduran cashew oil and interaction at the air-water interface by molecular dynamics simulation

Abstract

The replacement of petroleum-derived surfactants with other environmentally correct ones such as those produced from biomass represents a window of opportunity to reduce the environmental impact of agro-industrial waste thar is currently not used, and it also represents an opportunity to promote the circular economy for the benefit of communities. In this work, the possibilities of using the shell of the Honduran cashew nut were evaluated, from which its oil was extracted by using a solvent, obtaining 32 – 36% oil with respect to the mass of the shell. The oil from the cashew nutshell is liquid rich in phenolic compounds such as cardanol, which, through some organic transformations, can be converted into different chemical compounds such as surfactants. To understand the structural properties of the surfactant that could be obtained from cardanol oil, the molecular dynamics technique was used, suggesting that the sizes of the tails and heads are closely related to their organization at the air-water interface, characteristics comparable to surfactants currently used in the industry, showing the viability of the substitution.