On the combustion mechanisms of ZrH2 in double-base propellant
Literature Information
Yanjing Yang, Fengqi Zhao, Zhifeng Yuan, Ying Wang, Ting An, Xueli Chen, Chunlei Xuan, Jiankan Zhang
Metal hydrides are regarded as a series of promising hydrogen-supplying fuel for solid rocket propellants. Their effects on the energetic and combustion performances of propellants are closely related to their reaction mechanisms. Here we report a first attempt to determine the reaction mechanism of ZrH2, a high-density metal hydride, in the combustion of a double-base propellant to evaluate its potential as a fuel. ZrH2 is determined to possess good resistance to oxidation by nitrocellulose and nitroglycerine. Thus its combustion starts with dehydrogenation to generate H2 and metallic Zr. Subsequently, the newly formed Zr and H2 participate in the combustion and, especially, Zr melts and then combusts on the burning surface which favors the heat feedback to the propellant. This phenomenon is completely different from the combustion behavior of the traditional fuel Al, where the Al particles are ejected off the burning surface of the propellant to get into the luminous flame zone to burn. The findings in this work validate the potential of ZrH2 as a hydrogen-supplying fuel for double-base propellants.
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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.










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