Characterizing high-energy-density propellants for space propulsion applications

Abstract

A technique for computationally determining the thermophysical properties of high-energy-density matter (HEDM) propellants is presented. HEDM compounds are of interest in the liquid rocket engine industry due to their high density and high energy content relative to existing industry-standard propellants. In order to accurately model rocket engine performance, cost and weight in a conceptual design environment, several thermodynamic and physical properties are required over a range of temperatures and pressures. The approach presented here combines quantum mechanical and molecular dynamic (MD) calculations and group additivity methods. A method for improving the force field model coefficients used in the MD is included. This approach is used to determine thermophysical properties for two HEDM compounds of interest: quadricyclane and 2-azido-N,N-dimethylethanamine (DMAZ). The modified force field approach provides results that more accurately match experimental data than the unmodified approach. Launch vehicle and Lunar lander case studies are presented to quantify the system level impact of employing quadricyclane and DMAZ rather than industry standard propellants. In both cases, the use of HEDM propellants provides reductions in vehicle mass compared to industry standard propellants. The results demonstrate that HEDM propellants can be an attractive technology for future launch vehicle and Lunar lander applications.

Crystal structure of 1,4-bis(2-azidoethyl)piperazine-1,4-diium dichloride, C8H18N8Cl2

“…Amine azides are low molecular weight organic amine compounds containing at least one tertiary nitrogen and one functional group that can be used as the fuel composition in hypergolic fuel propulsion systems or gelled propellants [4]. Such compounds are preferred to replace hydrazines due to the advantages of synthesized and evaluated as potentional hypergolic fuel compounds, such as dimethylaminoethylazide (DMAZ), pyrollidiylethylazide (PYAZ) and bis(ethylazide)methylamine (BAZ) [5][6][7][8]. DMAZ appears to be one of the better candidates for hydrazine compounds.…”

Photoresponsive polyamides containing pentamethylated norbornadiene moieties: Synthesis and photochemical properties under sunlight irradiation

“…Solutions previously reported to drive this photochemical process using higher wavelength irradiation sources and to improve the quantum yield include: the addition of sensitizers and chromophores, the conjugation of electron withdrawing substituents to the NBD moiety, and the use of NBD‐containing metal complex catalysts . In addition to conversion and storage of solar energy, the photochemical isomerization of NBD has been studied as a new alternative in the field of optoelectronics (memory, optical switches and other devices), as a photochromic system with potential application in the data storage technology, and as an energetic binder for solid rocket propellants . NBD structures are generally introduced into polymer chains as pendant moieties by postpolymerization chemical modification, by radical or cationic polymerizations of NBD‐containing vinyl monomers, or by ring‐opening copolymerization of glycidyl esters containing NBD moieties with various carboxylic anhydrides .…”

“…[14][15][16][17][18][19] In addi-tion to conversion and storage of solar energy, the photochemical isomerization of NBD has been studied as a new alternative in the field of optoelectronics (memory, optical switches and other devices), 20,21 as a photochromic system with potential application in the data storage technology, 22 and as an energetic binder for solid rocket propellants. 23 NBD structures are generally introduced into polymer chains as pendant moieties by postpolymerization chemical modification, 10,22,[24][25][26] by radical or cationic polymerizations of NBD-containing vinyl monomers, 27,28 or by ring-opening copolymerization of glycidyl esters containing NBD moieties with various carboxylic anhydrides. 29 Besides, the synthesis of polyamides containing NBD structure in the backbone by direct or catalyst transfer polycondensation has been reported earlier.…”

A UV‐LEDs based photomicroreactor for mechanistic insights and kinetic studies in the norbornadiene photoisomerization

“…14,15 In the other hand, as one of the non-toxic high-energy-density liquid fuel, 16,17 QC has high volumetric net heat of combustion (i.e., VNHOC = 43.55 MJ/L), high density (0.982 g/ml), and low freezing point (−44 C). 18,19 Therefore, QC has been considered to be a possible replacement or additive to current propellants. The good fuel property of QC can be mainly attributed to its unique strained molecular structure consisting of two three-membered rings, one four-membered ring, and two five-membered rings.…”