Optimal chemical reaction pathway for palm process residue recovery using Process Graph (P-graph) framework

Abstract

Oleochemical industry generates palm process residue during hydrogenation of fatty acids or methyl esters. This residue, comprising fatty alcohols and alkanes with overlapping boiling points, is challenging and costly to separate using conventional distillation. Efficient recovery of fatty alcohols for commercial use, while alkanes for jet fuel, lubricants, and gasoline are beneficial. A promising solution involves halogenating fatty alcohols into derivatives with distinct boiling points from alkanes, enabling efficient distillation. Thus, identifying chemical reaction pathways for fatty alcohols and halogenating agents that occurs spontaneously under optimal conditions is crucial for cost-effectiveness and sustainability. Utilizing P-graph framework with SSG + LP algorithm, 116 thermodynamically feasible pathways were generated and analyzed using Aspen Plus. The optimal pathway successfully separated C₁₂H₂₅OH from C₁₄H₃₀ and achieved a high conversion of 90.40% for C₁₂H₂₅Br. This pathway also produced valuable by-products such as C₄H₈BrOH and C₅H₁₁OH, generating higher revenue and demonstrating industrial feasibility.