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Date: Fri, 2 Feb 2024 15:11:51 +0000

Subject: ASMS Abstract Submission
— Log ID 319524

Your abstract for the ASMS 2024 Anaheim was submitted on 02/02/2024. The log ID for your abstract is 319524.

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Comparison of lignocellulosic-based biomass pyrolysis processes by multi-scale molecular characterization

Caroline Barrère-Mangote1, 2; Charlotte MASE1, 2; Eliane Lazzari3; David C. Dayton4; Carlos AFONSO2, 5; Pierre Giusti1, 2; Ryan Rodgers2, 6; Marco Piparo1, 2; Jean Farnçois Focant3

1TOTALENERGIES OT, Harfleur, France; 2International Joint Laboratory – iC2MC : Complex Matrices Molecular Characterization, Harfleur, France; 3Organic and Biological Analytical Chemistry Group, MolSys Research Unit, Liège, Belgium; 4RTI International, Technology Advancement and Commercialization, Research Triangle Park, NC; 5Univ Rouen Normandie, INSA Rouen Normandie, CNRS, Normandie Univ, COBRA UMR 6014, Rouen, France; 6National High Magnetic Field Laboratory, Tallahassee, Florida

Introduction

Bio-oils produced from the pyrolysis of lignocellulosic biomass have proven to be a promising renewable energy source. These bio-oils are very complex organic mixtures consisting of thousands of compounds covering a wide range of mass and polarity. However, the liquid obtained after pyrolysis is rich in oxygen, which causes instability and corrosion problems. It therefore requires dedicated post-pyrolysis treatments such as hydrotreatment to increase the H/C ratio of the products to be used as fuels or chemicals. Here, the complementarity of liquid and gaz chromatography with direct infusion Fourier transform ion cyclotron resonance mass spectrometry (FTICR MS) for the characterization of bio-oils is presented, allowing a molecular characterization of volatile and non-volatile compounds.

Methods

Bio-oil and produced from different pyrolysis processes (fast, catalytic and reactive catalytic) were analyzed. Gel Permeation Chromatography with Refractive Index detection and flash chromatography were used for global and quantitative pyrolysis oil charaterization. For direct infusion FTICR MS, the samples were diluted at 0.5 mg mL-1. Heptane and a mixture of toluene/methanol were used as solvents, respectively in APCI to promote ionization of alkanes and in ESI. Tetramethyl ammonium hydroxide and sodium acetate were, respectively, used as dopants in negative and positive ion modes.  The GC×GC MS was interfaced with an electron ionization (EI) source coupled to a quadrupole time-of-flight (QTOF) MS.

Preliminary Data

A first bulk analysis was performed using proximate and ultimate analysis and gel permeation chromatography with refractive index and UV detection (GPC-RI and GPCUV), which provided crucial information on the elemental composition and mass distribution of the bio-oil components. A deeper investigation at the molecular level was performed using Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (FTICR MS) and High-Performance Thin Layer Chromatography (HPTLC) to
determine detailed molecular classification of the bio-oil components. Finally, a fractionation method using flash chromatography (FC) was used to provide a more accurate chemical description. The obtained fractions were analyzed by two-dimensional "comprehensive" gas chromatography (GC×GC) coupled with mass spectrometry (MS) and flame ionization detector (FID), HPTLC, and FTICR MS. The results show that the bio-oils produced from FP and CFP are very similar chemically spoken. The bio-oil from RCFP has less oxygenated products and more unsaturated hydrocarbon species. Therefore, RCFP process was found to be the best process for producing oils with a low O/C ratio.

Novel Aspect

This strategy allows the exhaustive characterization of volatile and non-volatile compounds in such complex matrix.

Conflict of Interest Disclosure

The authors declare no competing financial interest.

Oral Choice:

Challenges in MS Analysis of Complex Mixtures

Second Oral Choice:

Instrumentation: High-Resolution Mass Spectrometry (Honoring Alan Marshall)

Poster:

Energy: Petroleum, Biofuels, and Algae

Submitting Author:

Caroline Barrère-Mangote

TOTALENERGIES OT

Harfleur,

[email-masked]