• investigating the energy efficiency of tex high energy derivatives with different carbon fuller nano structures under different temperature conditions by dft method

    نویسندگان :
    جزئیات بیشتر مقاله
    • تاریخ ارائه: 1400/11/07
    • تاریخ انتشار در تی پی بین: 1400/11/07
    • تعداد بازدید: 257
    • تعداد پرسش و پاسخ ها: 0
    • شماره تماس ژورنال: 09122976055

    investigating the energy efficiency of tex high energy derivatives with different carbon fuller nano structures under different temperature conditions by dft method

    in this study, high energy energy derivatives of tex with different carbon-containing fullerenes at different temperature conditions were studied using density functional theory. for this purpose, the materials were first geometric optimized, then the thermodynamic parameters were calculated for all of them. then, the process of changing the energy-dependent parameters such as specific heat capacity, enthalpy, entropy and gibbs free energy relative to molecular mass, molecular volume and measured level in this study at a given temperature, were evaluated against each other.

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