A detailed mechanism for the initial hypergolic reaction in liquid hydrazine/nitrogen tetroxide mixtures based on quantum chemistry calculations

Detailed Kinetic Model for the Thermal Decomposition of Hydrazine Nitrate in Nitric Acid Solution Based on Quantum Chemistry Calculations Combined with the Polarizable Continuum Model

“…The identification of new chemical reactions associated with HN decomposition in aqueous solutions required the improvement of the detailed kinetic model previously developed by our group . To this end, we employed quantum chemistry calculations combined with continuum solvation models using the Gaussian 16 rev B program .…”

“…To this end, we employed quantum chemistry calculations combined with continuum solvation models using the Gaussian 16 rev B program . Thermochemical and kinetic modeling were carried out based on the CBS-QB3//ωB97X-D/6-311++G­(d,p)/SCRF = (SMD, solvent = water) level of theory, which was also used in the previous study . Details of these CBS-QB3//ωB97X-D calculations can be found in a paper by Matsugi and Shiina .…”

“…The sets of differential equations that describe the rates of formation and destruction of each species can also be numerically integrated and the computed concentrations of reactants, intermediates, and products compared to those obtained experimentally. Such methods have been applied to the investigation of gas-phase reactions for some time now but could also be used for the modeling of liquid-phase reactions. − …”

“…In the present study, the chemical reactions of HN in nitric acid were elucidated by developing a detailed kinetic model for the decomposition of the N 2 H 4 /HNO 3 system in an aqueous solution. In prior work, our group devised a kinetic model for a hypergolic mixture of N 2 H 4 and nitrogen tetroxide (N 2 O 4 ) using ab initio quantum chemistry calculations . In the study reported herein, an improved kinetic model was employed to simulate the decomposition of N 2 H 4 with the simultaneous production of ammonia (NH 3 ) and HN 3 in nitric acid solutions under isothermal conditions.…”

Unsteady Stream-Tube Model for Pulse Performance of Bipropellant Thrusters

“…To extend the lifetimes of satellites, a high specific impulse is desired for both the steady and pulsed modes of a thruster. The sequential phenomena inside a bipropellant thruster involve the injection of fuel and oxidizer jet streams, spray formation by unlike impingement of the jets [14,15], mixing in the spray, condensed-phase reactions, droplet evaporation, gas-phase reactions, and production of combustion gas [16][17][18]. Simultaneously, the film-cooling technique is used to protect the chamber wall from hot combustion gas by the latent heat of the liquid fuel film spreading on the inner wall, and eventually self-decomposing [19][20][21].…”