Title of article :
Investigating the Energy Efficiency of TEX High Energy Derivatives with Different Carbon Fuller Nano Structures under Different Temperature Conditions by DFT Method
Author/Authors :
Lgaz ، Helen - An-Najah National University
Pages :
7
From page :
98
To page :
104
Abstract :
In this study, high energy energy derivatives of TEX with different carboncontaining 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 energydependent 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.
Keywords :
High energy energy derivatives , TEX , Functional density theory
Journal title :
International Journal of new Chemistry
Serial Year :
2016
Journal title :
International Journal of new Chemistry
Record number :
2466368
Link To Document :
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