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Miguel J Torrejón1, Samuel Blazquez2, Jesús Algaba1

  • 1Laboratorio de Simulación Molecular y Química Computacional, CIQSO-Centro de Investigación en Química Sostenible and Departamento de Ciencias Integradas, Universidad de Huelva, 21006 Huelva, Spain.

Energy & fuels : an American Chemical Society journal
|August 13, 2025
PubMed
概括

计算机模拟通过两种方法确定了酸的解离温度. 该研究发现,子占用率对185MPa的解离温度的影响最小,热力学上偏好1-3占用率.

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