Tension ring-functionalized bicyclic ammonium ionic liquids as hypergolic fuels with superior energy density

IF 5.3 2区化学 Q2 CHEMISTRY, PHYSICAL Journal of Molecular Liquids Pub Date : 2024-11-08 DOI:10.1016/j.molliq.2024.126445

Tianhao Xie , Yuan Yao , Xiaofang Yang , Long Liu , Peihao Dou , Yanqiang Zhang

引用次数: 0

Abstract

Hypergolic ionic liquids are a new type of liquid propellants, and the energy density is critical to propulsion performance. We propose to combine cage structures with tensile rings to design and synthesize new ionic liquid molecules. Cycloalkane-substituted 1-aza-bicyclo[2.2.2]octane and 1,4-diazabicyclo[2.2.2]octane-like ionic liquids were synthesized using dicyanamide root as an anion, and their structure and properties were determined. The obtained ionic liquids possess higher energy density up to 1.87 kJ·mL⁻¹. The three-membered ring substituent can increase the energy density of ionic liquids by 79.8 % and reduce the ignition delay time by 52.5 % than that of straight-chain alkanes. This work provides an important basis for the design and synthesis of the new type of hypergolic ionic liquids.

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张力环功能化双环铵离子液体作为高能量密度燃料

超醇离子液体是一种新型液体推进剂，其能量密度对推进性能至关重要。我们建议将笼式结构与拉伸环结合起来，设计和合成新型离子液体分子。我们以二氰胺根为阴离子，合成了环烷取代的 1-aza-bicyclo[2.2.2]octane 和 1,4-diazabicyclo[2.2.2]octane 类离子液体，并测定了它们的结构和性质。所获得的离子液体具有较高的能量密度，最高可达 1.87 kJ-mL-1。与直链烷烃相比，三元环取代基可使离子液体的能量密度提高 79.8%，点火延迟时间缩短 52.5%。这项工作为设计和合成新型高庚醇离子液体提供了重要依据。

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来源期刊

Journal of Molecular Liquids 化学-物理：原子、分子和化学物理

CiteScore

10.30

自引率

16.70%

发文量

2597

审稿时长

78 days

期刊介绍： The journal includes papers in the following areas: – Simple organic liquids and mixtures – Ionic liquids – Surfactant solutions (including micelles and vesicles) and liquid interfaces – Colloidal solutions and nanoparticles – Thermotropic and lyotropic liquid crystals – Ferrofluids – Water, aqueous solutions and other hydrogen-bonded liquids – Lubricants, polymer solutions and melts – Molten metals and salts – Phase transitions and critical phenomena in liquids and confined fluids – Self assembly in complex liquids.– Biomolecules in solution The emphasis is on the molecular (or microscopic) understanding of particular liquids or liquid systems, especially concerning structure, dynamics and intermolecular forces. The experimental techniques used may include: – Conventional spectroscopy (mid-IR and far-IR, Raman, NMR, etc.) – Non-linear optics and time resolved spectroscopy (psec, fsec, asec, ISRS, etc.) – Light scattering (Rayleigh, Brillouin, PCS, etc.) – Dielectric relaxation – X-ray and neutron scattering and diffraction. Experimental studies, computer simulations (MD or MC) and analytical theory will be considered for publication; papers just reporting experimental results that do not contribute to the understanding of the fundamentals of molecular and ionic liquids will not be accepted. Only papers of a non-routine nature and advancing the field will be considered for publication.

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