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Estimation of Properties Employed to Predict the Environmental Fate and Transport of Hydrazine-Alternative Hypergols; Conference paper

机译:评估用于预测肼替代性高级醇的环境归趋和运输的性质;会议文件

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摘要

Under a program to design and develop hydrazine-alternative hypergols, assessments of the risks candidates pose to human health and the environment are to be made and considered along with traditional engine performance criteria throughout the selection and development process. Seeking to base assessments for the earliest stages of the process on quantitative structure property relationships (QSPRs), published QSPRs for 6 physical properties commonly employed as input for fate, transport and effect modeling were identified and evaluated. The evaluation focused on the reliability of the identified QSPRs estimates for the two classes of compounds considered to have the best prospects for replacing hydrazine-based hypergols: saturated, tertiary multiamines (STMs) and ethanamine azides (EAs). The study indicates that QSPRs contained in a program provided by the US Environmental Protection Agency yield reasonable estimates for STM normal boiling points, (ambient) vapor pressures, octanol-water partition coefficients, water solubilities and air-water partition coefficients. The program s estimates for EAs, on the other hand, proved poor or there was insufficient data with which to validate them. Alternate methods for estimating EA normal boiling points and vapor pressures are recommended. Gaps that remain in the desired protocol are identified, and approaches to filling them are proposed.

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