Scholarlink

Abstract <p>The adsorption of hydrazine, monomethylhydrazine (MMH), unsymmetrical dimethylhydrazine (UDMH), nitrosodimethylamine (NDMA), and tetramethyltetrazene (TMTZ) molecules on graphitized thermal carbon black (GTCB) is studied via analyzing their geometric structure. To identify the specific characteristic of the adsorption capacity of the studied compounds, their Henry constants are determined by the experimental gas adsorption chromatography method coupled with the semiempirical molecular-statistical theory of adsorption; good agreement between the results is obtained. Calculations are conducted by the B3LYP method with the following basis sets: <i>aug</i>-cc-pVDZ to determine the structural and energy characteristics of isolated molecules and cc-pVDZ to optimize the geometric parameters of molecules adsorbed on circumcoronene C<sub>54</sub>H<sub>18</sub>. It is found that due to the planar geometry of NDMA, it undergoes adsorption more readily than MMH and UDMH do. The highest Henry constant values are found for TMTZ. The revealed relationships provide prerequisites for the efficient separation of hydrazine and methylated hydrazine derivatives.</p>

错误：搜索内容不能为空，请输入英文关键词
错误：关键词超出字数限制，请精简
高级检索

Specific Features of Adsorption of 1,1-Dimethylhydrazine and Derivatives of It on Graphitized Thermal Carbon Black

  • 期刊论文

  • 发表日期：

    2026年6月25日

查看全文
  • A. V. Terentev,
  • V. V. Varfolomeeva,
  • A. V. Ulyanov

摘要

Abstract

The adsorption of hydrazine, monomethylhydrazine (MMH), unsymmetrical dimethylhydrazine (UDMH), nitrosodimethylamine (NDMA), and tetramethyltetrazene (TMTZ) molecules on graphitized thermal carbon black (GTCB) is studied via analyzing their geometric structure. To identify the specific characteristic of the adsorption capacity of the studied compounds, their Henry constants are determined by the experimental gas adsorption chromatography method coupled with the semiempirical molecular-statistical theory of adsorption; good agreement between the results is obtained. Calculations are conducted by the B3LYP method with the following basis sets: aug-cc-pVDZ to determine the structural and energy characteristics of isolated molecules and cc-pVDZ to optimize the geometric parameters of molecules adsorbed on circumcoronene C54H18. It is found that due to the planar geometry of NDMA, it undergoes adsorption more readily than MMH and UDMH do. The highest Henry constant values are found for TMTZ. The revealed relationships provide prerequisites for the efficient separation of hydrazine and methylated hydrazine derivatives.