Theoretical and experimental development of energetic materials applied to chemical propulsion

• Grant number: 19/03729-8
• Support Opportunities: Regular Research Grants
• Start date: September 01, 2019
• End date: August 31, 2021
• Field of knowledge: Engineering - Aerospace Engineering - Aerospace Propulsion
• Principal Investigator: Luiz Fernando de Araújo Ferrão
• Grantee: Luiz Fernando de Araújo Ferrão
• Host Institution: Divisão de Ciências Fundamentais (IEF). Instituto Tecnológico de Aeronáutica (ITA). Ministério da Defesa (Brasil). São José dos Campos , SP, Brazil
• City of the host institution: São José dos Campos
• Associated researchers: Elizabete Yoshie Kawachi ; Kamila Pereira Cardoso ; Márcio Yuji Nagamachi
• Associated scholarship(s): 20/08603-0 - Production of paraffin particles with controllable size and morphology, BP.TT

Abstract

The development of propellants with high performance associated with low environmental risks plays a central role in the advancement of space technologies in the field of chemical propulsion. In order to keep Brazil in the civilian and military markets and to reduce the technological gap in this sector, it is necessary to develop, for example, oxidants with performance comparable to that of ammonium perchlorate, the most widely used oxidizer in solid propellants, and to dominate its production in large scale. Ammonium dinitramide (ADN) is an environmentally friendlier alternative, but its synthesis on a large scale still offers challenges. In this context, this project involves ADN synthesis and the study of grain formulations based on this propellant for use in solid rocket engines. In parallel, fuel grains will be developed for use in hybrid rocket engines. In particular, those based on paraffin or ADN particles and a polymer matrix, added with different metal complexes and/or nanoparticles to lower the decomposition temperature of the processed grains and/or to increase its burning rate. Grains with different compositions will be assembled and studied with respect to thermal and mechanical properties, as well as to ballistic parameters. Also, computational quantum chemistry simulations will be carried out focused in the description of molecular properties and interactions between the components of the grains. This project will contribute strongly to the consolidation of a multidisciplinary research group on energy materials, made up of professors from the Aeronautics Institute of Technology (ITA) and researchers from the Institute of Aeronautics and Space (IAE) who work in the Graduate Program in Sciences and Technologies of the ITA, enabling the formation of highly qualified human resources in this area. In addition, the results of this research may provide conditions for the search for self-sufficiency in Brazil in relation to the production of high-performance chemical propellants. (AU)

Scientific publications

(21)

(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)

GOMES FERNANDES, PAULA CRISTINA; GOMES, JESSICA SANTOS; KAWACHI, ELIZABETE YOSHIE; NAGAMACHI, MARCIO YUJI; DE ARAUJO FERRAO, LUIZ FERNANDO; CARDOSO, KAMILA PEREIRA. Exploring the Mechanical, Thermal and Ballistic Effects of Carbon Black on Paraffin-Based Fuels for Hybrid Rocket Motors. JOURNAL OF AEROSPACE TECHNOLOGY AND MANAGEMENT, v. 11, n. SI, p. 19-22, 2019. (19/03729-8, 19/03042-2)

SILVA, JESSICA O.; CARDOSO, KAMILA P.; DINIZ, MILTON F.; NAGAMACHI, MARCIO Y.; FERRAO, LUIZ F. A.. Microencapsulation of ADN with HTPB-based membrane in the presence of the bonding agents Tepan or Tepanol. PROPELLANTS EXPLOSIVES PYROTECHNICS, v. 49, n. 5, p. 11-pg., 2024-04-19. (19/03729-8)

FERRAO, LUIZ F. A.; PONTES, MARCELO A. P.; FERNANDES, GABRIEL F. S.; BETTANIN, FERNANDA; AQUINO, ADELIA J. A.; LISCHKA, HANS; NACHTIGALLOVA, DANA; MACHADO, FRANCISCO B. C.. Stability and Reactivity of the Phenalene and Olympicene Isomers. Journal of Physical Chemistry A, v. 127, n. 45, p. 12-pg., 2023-11-03. (22/16385-8, 18/22669-3, 19/03729-8)

GOMES FERNANDES, PAULA CRISTINA; GOMES, JESSICA SANTOS; KAWACHI, ELIZABETE YOSHIE; NAGAMACHI, MARCIO YUJI; DE ARAUJO FERRAO, LUIZ FERNANDO; CARDOSO, KAMILA PEREIRA. Exploring the Mechanical, Thermal and Ballistic Effects of Carbon Black on Paraffin-Based Fuels for Hybrid Rocket Motors. JOURNAL OF AEROSPACE TECHNOLOGY AND MANAGEMENT, v. 11, p. 4-pg., 2019-01-01. (19/03729-8, 19/03042-2)

PIMONT, LIA JUNQUEIRA; GOMES FERNANDES, PAULA CRISTINA; DE ARAUJO FERRAO, LUIZ FERNANDO; NAGAMACHI, MARCIO YUJI; CARDOSO, KAMILA PEREIRA. Study on the Mechanical Properties of Solid Composite Propellant Used as a Gas Generator. JOURNAL OF AEROSPACE TECHNOLOGY AND MANAGEMENT, v. 11, p. 4-pg., 2019-01-01. (19/03729-8, 19/03042-2)

MOURA, SILIO LIMA; FERNANDES, GABRIEL FREIRE SANZOVO; MACHADO, FRANCISCO BOLIVAR CORRETO; FERRAO, LUIZ FERNANDO ARAUJO. Theoretical and experimental electronic spectra of neutral, monoprotonated and diprotonated dapsone. THEORETICAL CHEMISTRY ACCOUNTS, v. 139, n. 3, FEB 18 2020. (17/07707-3, 19/03729-8, 18/22669-3)

PETRY PONTES, MARCELO ANDRE; CORRETO MACHADO, FRANCISCO BOLIVAR; ROBERTO-NETO, ORLANDO; DE ARAUJO FERRAO, LUIZ FERNANDO. Soot precursors in farnesane and n-dodecane decomposition: A computational approach. FUEL, v. 268, MAY 15 2020. (17/07707-3, 19/03729-8)

KANO, FILIPE G.; DE CARVALHO, EDSON F. V.; FERRAO, LUIZ F. A.; ROBERTO-NETO, ORLANDO; MACHADO, FRANCISCO B. C.. Hydrogen Atom Abstraction Reaction from Silane with Hydrogen and Methyl Radicals: Rate Constants and Kinetic Isotopic Effects. Journal of Physical Chemistry A, v. N/A, p. 9-pg., 2024-11-29. (22/16385-8, 19/03729-8)

PONTES, MARCELO ANDRE PETRY; DE CARVALHO, EDSON FIRMINO VIANA; FERRAO, LUIZ FERNANDO DE ARAUJO; MACHADO, FRANCISCO BOLIVAR CORRETO; ROBERTO-NETO, ORLANDO. Rate Constants and Energetics of the H₂SiO + H Reaction System: RP-VTST/MT and VRC Calculations. Journal of Computational Chemistry, v. 46, n. 14, p. 10-pg., 2025-05-30. (22/16385-8, 19/03729-8)

MILANEZ, BRUNO D.; DOS SANTOS, GUSTAVO M.; PINHEIRO, MAX, JR.; UENO, LEONARDO T.; FERRAO, LUIZ F. A.; AQUINO, ADELIA J. A.; LISCHKA, HANS; MACHADO, FRANCISCO B. C.. Structural stability and the low-lying singlet and triplet states of BN-n-acenes, n=1-7. Journal of Computational Chemistry, v. 44, n. 6, p. 11-pg., 2022-11-14. (19/03729-8, 19/25105-6)

PIMONT, LIA JUNQUEIRA; GOMES FERNANDES, PAULA CRISTINA; DE ARAUJO FERRAO, LUIZ FERNANDO; NAGAMACHI, MARCIO YUJI; CARDOSO, KAMILA PEREIRA. Study on the Mechanical Properties of Solid Composite Propellant Used as a Gas Generator. JOURNAL OF AEROSPACE TECHNOLOGY AND MANAGEMENT, v. 11, n. SI, p. 7-10, 2019. (19/03729-8, 19/03042-2)

SILVA, JESSICA DE OLIVEIRA; SILVA, JOSIANE RIBEIRO CAMPOS; DE OLIVEIRA, LUCAS BARROS; CARDOSO, KAMILA PEREIRA; NAGAMACHI, MARCIO YUJI; DE ARAUJO FERRAO, LUIZ FERNANDO. Encapsulation of Oxidizers: Efficient Method by Spout-fluid Bed. JOURNAL OF AEROSPACE TECHNOLOGY AND MANAGEMENT, v. 11, n. SI, p. 23-26, 2019. (19/03729-8, 17/00618-5)

FERNANDES, GABRIEL F. S.; MACHADO, FRANCISCO B. C.; FERRAO, LUIZ F. A.. Electronic Structure of Small Isolated and Supported Manganese Oxide Clusters. Journal of Physical Chemistry A, v. 127, n. 42, p. 9-pg., 2023-10-15. (22/16385-8, 18/22669-3, 19/03729-8)

CHAGAS, JULIO C. V.; MILANEZ, BRUNO D.; OLIVEIRA, VYTOR P.; PINHEIRO JR, MAX; FERRAO, LUIZ F. A.; AQUINO, ADELIA J. A.; LISCHKA, HANS; MACHADO, FRANCISO B. C.. A multi-descriptor analysis of substituent effects on the structure and aromaticity of benzene derivatives: π-Conjugation versus charge effects. Journal of Computational Chemistry, v. 45, n. 12, p. 15-pg., 2023-12-28. (22/16385-8, 19/03729-8)

KANO, FILIPE GUSTAVO; DE CARVALHO, EDSON FIRMINO VIANA; FERRAO, LUIZ FERNANDO ARAUJO; MACHADO, FRANCISCO BOLIVAR CORRETO; ROBERTO-NETO, ORLANDO. Thermal rate constants and kinetic isotope effects of the H + H₂O₂ reactions: barrier height and reaction energy from single- and multireference methods. Journal of Molecular Modeling, v. 30, n. 5, p. 11-pg., 2024-05-01. (22/16385-8, 19/03729-8)

SILVA, JESSICA DE OLIVEIRA; SILVA, JOSIANE RIBEIRO CAMPOS; DE OLIVEIRA, LUCAS BARROS; CARDOSO, KAMILA PEREIRA; NAGAMACHI, MARCIO YUJI; DE ARAUJO FERRAO, LUIZ FERNANDO. Encapsulation of Oxidizers: Efficient Method by Spout-fluid Bed. JOURNAL OF AEROSPACE TECHNOLOGY AND MANAGEMENT, v. 11, p. 4-pg., 2019-01-01. (19/03729-8, 17/00618-5)

SILVA, JESSICA DE OLIVEIRA; CARDOSO, KAMILA PEREIRA; CAMPOS SILVA, JOSIANE RIBEIRO; KAWACHI, ELIZABETE YOSHIE; NAGAMACHI, MARCIO YUJI; DE ARAUJO FERRAO, LUIZ FERNANDO. ADN Recrystallization and Microencapsulation with HTPB by Simple Coacervation. PROPELLANTS EXPLOSIVES PYROTECHNICS, v. 45, n. 5, p. 705-713, MAY 2020. (17/00618-5, 19/03729-8)

FERNANDES, GABRIEL F. S.; PONTES, MARCELO A. P.; MACHADO, FRANCISCO B. C.; FERRAO, LUIZ F. A.. Electronic structure and stability of transition metal acetylacetonates TM (AcAc)(n) (TM = Cr, Fe, Co, Ni, Cu; n=1, 2, 3). COMPUTATIONAL AND THEORETICAL CHEMISTRY, v. 1207, JAN 2022. (18/22669-3, 19/03729-8, 19/25105-6)

FERNANDES, GABRIEL F. S.; PONTES, MARCELO A. P.; FARIA, JR., ULISSES J.; MACHADO, FRANCISCO B. C.; FERRAO, LUIZ F. A.. Multireference study of ionic/covalent electronic states of MF (M = Be, Mg and Ca). SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, v. 233, JUN 5 2020. (17/07707-3, 19/03729-8, 18/22669-3)

FERNANDES, GABRIEL F. S.; MACHADO, FRANCISCO B. C.; FERRAO, LUIZ F. A.. Identification of Magic Numbers in Homonuclear Clusters: The epsilon(3) Stability Ranking Function. Journal of Physical Chemistry A, v. 124, n. 2, p. 454-463, JAN 16 2020. (18/22669-3, 19/03729-8, 17/07707-3)

FONSECA, GIOVANA, V; FERNANDES, GABRIEL F. S.; MACHADO, FRANCISCO B. C.; FERRAO, LUIZ F. A.. Electronic structure and physicochemical properties of the metal and semimetal oxide nanoclusters. Journal of Molecular Modeling, v. 28, n. 10, p. 8-pg., 2022-10-01. (19/03729-8, 19/25105-6, 18/22669-3)