Computer-Aided Molecular and Process Design for Citrus Wastes Valorization

• Grant number: 25/06400-8
• Support Opportunities: Scholarships abroad - Research Internship - Master's degree
• Start date: June 01, 2025
• End date: November 30, 2025
• Field of knowledge: Engineering - Chemical Engineering
• Principal Investigator: Moisés Teles dos Santos
• Grantee: Giovana Correia de Assis Netto
• Supervisor: Vincent Gerbaud
• Host Institution: Escola Politécnica (EP). Universidade de São Paulo (USP). São Paulo , SP, Brazil
• Institution abroad: Institut National Polytechnique De Toulouse, France
• Associated to the scholarship: 24/03274-9 - Conceptual Design of a Biorefinery Integrated into an Orange Juice and Coffee Production System, BP.MS

Abstract

This research internship proposal is part of an ongoing FAPESP-funded Master's project focused on the valorization of citrus and coffee agro-industrial wastes through biorefinery concepts. A central challenge addressed in the project is the replacement of conventional petrochemical solvents-especially hexane-with safer, renewable, and environmentally friendly alternatives for use in extraction and separation processes. Given the critical role solvents play in biomass pretreatment, compound purification, and green product formulation, this proposal aims to identify, design, and evaluate new bio-based solvents derived from citrus waste. To achieve this, the candidate will conduct a six-month research internship at the Laboratoire de Génie Chimique (LGC) of the Institut National Polytechnique de Toulouse (INPT), under the guidance of Prof. Dr. Vincent Gerbaud-a leading expert in Computer-Aided Molecular Design (CAMD) and thermodynamic modeling. This collaboration will leverage the IBSS® tool and COSMO-RS modeling to generate, optimize, and assess potential green solvents, followed by process design simulations using ProSimPlus. The internship will reinforce ongoing Brazil-France collaborations, deepen the student's knowledge in computational tools, and enhance the sustainability potential of the current project. The outcomes are expected to significantly contribute to solvent innovation in biorefineries and open new international research pathways.