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Thermal properties of char obtained by pyrolysis: A molecular dynamics simulation study
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View: Figures


Image of FIG. 1.
FIG. 1.

RDFs are shown for char specimens with equal to: (a) 2.94 and (b) 3.10. Snapshots of atomic configurations in thin slices of char are shown to illustrate differences in the microtopology of char with : (c) 2.94 and (d) 3.10. Note the change in microtopology from a nearly random network to a foamy with embedded graphene sheet-like features.

Image of FIG. 2.
FIG. 2.

Thermal conductivity, , as a function of temperature is shown for the char sample with (solid circles). Solid line in the plot is the theoretical behavior, as predicted by Eq. (1).

Image of FIG. 3.
FIG. 3.

Thermal conductivity of char is shown as a function of , at (solid circles). Dashed line shows numerical solution to Eq. (1). Note that the deviation from the theory, , is of the same order, as expected assuming the effect due to an elastic softening. In the inset to the figure, is shown as function of . Dashed line corresponds to the best fit to simulation data, made under assumption of a network solid. In both cases, change in behavior at , corresponds to the microstructural transition (marked as in the figure) found in our simulations.


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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Thermal properties of char obtained by pyrolysis: A molecular dynamics simulation study