Mechanism of Depolymerization of Cellulose in Low Sulfuric Acid Medium. Kinetic Investigation and Stochastic Simulation

Inhaltsverzeichnis (Table of Contents)

• FIRST PAGES OF ORIGINAL THESIS
• ABSTRACT IN FRENCH
• EXPERIMENTAL STUDY I: CELLULOSE PRETREATMENTS
  • INTRODUCTION TO CELLULOSE
  • EXPERIMENTAL APPARATUS
  • COTTON PREATREATMENTS
  • COTTON CHARACTERIZATION
  • EXPERIMENTAL RESULTS AND DISCUSSION
    • Cotton structure and morphology
    • Effects of cotton extraction on cellulose acid hydrolysis
    • Rolling up process of cotton wax
    • Effects of cotton boiling on cellulose depolymerization
    • Effects of milling on cotton morphology
    • Effects of milling on cellulose depolymerization
    • Effects of milling on the rate of glucose formation
  • CONCLUSION
  • APPENDIX
  • NOMENCLATURE
  • REFERENCES
• EXPERIMENTAL STUDY II: KINETIC INVESTIGATION
  • INTRODUCTION TO CELLULOSE ACID HYDROLYSIS
  • EXPERIMENTAL RESULTS AND DISCUSSION
    • Glucose degradation
    • Cellobiose hydrolysis
    • Glucose build up during cellobiose hydrolysis
    • Cellulose sacharification
    • Effects of milling on cotton morphology
    • Effects of milling on cellulose depolymerization
    • Effects of milling on the yield of glucose
  • CONCLUSION
  • NOMENCLATURE
  • REFERENCES
• STOCHASTIC SIMULATION OF THE YIELD OF GLUCOSE
  • INTRODUCTION TO STOCHASTIC SIMULATION
  • CELLULOSE ACID HYDROLYSIS PROCESS
  • STOCHASTIC SIMULATION OF A POLYMER DEPOLYMERIZATION PROCESS
  • STOCHASTIC SIMULATION OF CELLULSOE ACID HYDROLYSIS
  • RESULTS AND DISCUSSION
  • CONCLUSION
  • NOMENCLATURE
  • REFERENCES

Zielsetzung und Themenschwerpunkte (Objectives and Key Themes)

This PhD thesis aims to model the kinetic behavior of cellulose during hydrolysis through stochastic simulation. The study focuses on the effects of milling on cellulose depolymerization during cotton acid hydrolysis, investigating how this mechanical pretreatment influences the accessibility of glycosidic bonds and the structure of cellulose.

• Kinetic investigation of cellulose depolymerization during acid hydrolysis.
• Effects of cotton morphology and wax on cellulose depolymerization.
• Influence of milling on cellulose structure and acid hydrolysis kinetics.
• Stochastic modeling of cellulose acid hydrolysis using a Monte Carlo procedure.
• Development and validation of a simulation model for cellulose acid hydrolysis.

Zusammenfassung der Kapitel (Chapter Summaries)

The first part of the thesis investigates the effects of milling on the rate of cellulose depolymerization during cotton acid hydrolysis. The study analyzes the effects of cotton wax on cellulose depolymerization and the influence of cotton boiling and extraction on the rate of hydrolysis. The experimental results show that milling increases the accessibility of glycosidic bonds and decreases the volume of crystalline regions in cotton, impacting the rate of cellulose depolymerization. The second part of the thesis delves into stochastic modeling of cellulose acid hydrolysis. A Monte Carlo procedure is developed to simulate the process, incorporating the kinetic information and morphological aspects of cellulose. The simulation model considers the cleavage of glycosidic bonds and the degradation of glucose as irreversible reactions in series, and the results demonstrate a good agreement between simulated and experimental data.

Schlüsselwörter (Keywords)

The main keywords and focus topics of the text include cellulose depolymerization, acid hydrolysis, stochastic simulation, Monte Carlo method, cotton morphology, milling, wax extraction, glycosidic bond accessibility, kinetic parameters, glucose yield, and cellulose degradation. The study investigates the influence of these factors on the rate of cellulose depolymerization during acid hydrolysis, aiming to develop a comprehensive model for the process.