## 4 Simulation Results
### Determination of Experimental Coefficients
For pairs whose coefficients are not available, the equivalent specific heat is calculated as described by Equation (16) reported previously. \begin{table}
\begin{tabular}{c c c c c c c c} \hline  & \(c_{0}\) & \(c_{1}\) & \(c_{2}\) & \(d_{0}\) & \(d_{1}\) & \(d_{2}\) \\ \hline CM01 & & & & & & & \\ CM02 & & & & & & & \\ CM03 & & & & & & & \\ CM04 & 0.4755 & 1.25 & 0 & 4.600 \(\times\) 10\({}^{-3}\) & 5.000 \(\times\) 10\({}^{-4}\) & 0 \\ CM05 & 3.44547 & 0 & 0 & 1.390 \(\times\) 10\({}^{-3}\) & 0 & 0 \\ CM06 & & & & & & \\ CM07 & & & & & & & \\ CM08 & & & & & & \\ CM09 & 0.7111 & 4.325 & \(-\)6.662 & 1.288 \(\times\) 10\({}^{-3}\) & 1.024 \(\times\) 10\({}^{-3}\) & 1.124 \(\times\) 10\({}^{-2}\) \\ CM10 & 0.60 & 2.57 & \(-\)0.88 & 1.190 \(\times\) 10\({}^{-3}\) & \(-\)0.104 \(\times\) 10\({}^{-3}\) & 0 \\ CM11 & 0.82567 & 4.90113 & \(-\)5.29702 & 1.713 \(\times\) 10\({}^{-3}\) & \(-\)9.895 \(\times\) 10\({}^{-3}\) & 1.227 \(\times\) 10\({}^{-2}\) \\ CM12 & 0.7699 & 3.0641 & \(-\)4.3529 & 1.600 \(\times\) 10\({}^{-3}\) & 7.200 \(\times\) 10\({}^{-3}\) & 4.030 \(\times\) 10\({}^{-2}\) \\ CM13 & 0.8489 & 5.19 & \(-\)7.00 & 1.600 \(\times\) 10\({}^{-3}\) & \(-\)2.120 \(\times\) 10\({}^{-3}\) & 6.740 \(\times\) 10\({}^{-3}\) \\ CM14 & & & & & & \\ CM15 & 1.50 & & & & & & \\ CM16 & 0.84 & & & & & & \\ CM17 & 0.749 & 4.18 & & & & & \\ \hline \end{tabular}
\end{table} 
Table 4: Experimental coefficients (\(c_{i}\) and \(d_{i}\)) for adsorbent–adsorbate pairs. \begin{table}
\begin{tabular}{c c c c c c c c c} \hline  & \(a_{0}\) & \(a_{1}\) & \(a_{2}\) & \(a_{3}\) & \(b_{0}\) & \(b_{1}\) & \(b_{2}\) & \(b_{3}\) \\ \hline CM01 & 20.33 & 6.53 & \(-\)16.7 & 52.4 & \(-\)6003.6 & 6315 & \(-\)2.606 \(\times\) 10\({}^{4}\) & 4.050 \(\times\) 10\({}^{4}\) \\ CM02 & 15.95 & 26.04 & \(-\)62.6 & 48.3 & \(-\)3616 & \(-\)7254 & 1.831 \(\times\) 10\({}^{4}\) & \(-\)1.427 \(\times\) 10\({}^{4}\) \\ CM03 & 20.19 & 11.46 & \(-\)0.37 & \(-\)28.0 & \(-\)6237.4 & \(-\)961 & \(-\)1060 & 9420 \\ CM04 & 17.68 & 25.19 & \(-\)68.4 & 52.6 & \(-\)4358.6 & \(-\)7103 & 2.006 \(\times\) 10\({}^{4}\) & \(-\)1.520 \(\times\) 10\({}^{4}\) \\ CM05 & 16.31 & 136.6 & \(-\)1510 & 6120 & \(-\)4136.7 & \(-\)33,375 & 3.592 \(\times\) 10\({}^{5}\) & \(-\)1.437 \(\times\) 10\({}^{6}\) \\ CM06 & 13.5 & 91.16 & \(-\)379 & 471 & \(-\)4121.1 & \(-\)24,021 & 1.115 \(\times\) 10\({}^{5}\) & \(-\)1.412 \(\times\) 10\({}^{5}\) \\ CM07 & 18.53 & \(-\)15.91 & 93.7 & \(-\)185 & \(-\)6520.5 & 12,248 & \(-\)4.648 \(\times\) 10\({}^{4}\) & 7.860 \(\times\) 10\({}^{4}\) \\ CM08 & 15.53 & 84.38 & \(-\)315 & 358 & \(-\)4549.6 & \(-\)24,359 & 9.827 \(\times\) 10\({}^{4}\) & \(-\)1.075 \(\times\) 10\({}^{5}\) \\ CM09 & 13.87 & 46.46 & \(-\)106 & 80.0 & \(-\)3975.9 & \(-\)12,550 & 3.149 \(\times\) 10\({}^{4}\) & \(-\)2.480 \(\times\) 10\({}^{4}\) \\ CM10 & 12.43 & 36.57 & \(-\)53.8 & 0 & \(-\)4101.2 & \(-\)9402 & 1.843 \(\times\) 10\({}^{4}\) & 0 \\ CM11 & 14.9 & 95.41 & \(-\)637 & 1850 & \(-\)7698.8 & 21,498 & \(-\)1.846 \(\times\) 10\({}^{5}\) & 5.126 \(\times\) 10\({}^{5}\) \\ CM12 & 14.78 & 133.74 & \(-\)651 & 1170 & \(-\)5329.1 & \(-\)19,959 & 7.202 \(\times\) 10\({}^{4}\) & \(-\)9.510 \(\times\) 10\({}^{4}\) \\ CM13 & 8.9 & 222.94 & \(-\)1470 & 3300 & \(-\)3266.9 & \(-\)52,340 & 3.533 \(\times\) 10\({}^{5}\) & \(-\)8.119 \(\times\) 10\({}^{5}\) \\ CM14 & 15.89 & 80.96 & \(-\)158 & 13.3 & \(-\)6113.8 & \(-\)2657 & \(-\)7.580 \(\times\) 10\({}^{4}\) & 2.559 \(\times\) 10\({}^{5}\) \\ CM15 & 20.74 & 8.20 & \(-\)68 & 200 & \(-\)5965 & \(-\)1918 & 2.676 \(\times\) 10\({}^{4}\) & \(-\)6.120 \(\times\) 10\({}^{4}\) \\ CM16 & 2.43 & 585.43 & \(-\)4870 & 1.26 \(\times\) 10\({}^{4}\) & \(-\)109.15 & \(-\)176,448 & 1.455 \(\times\) 10\({}^{6}\) & \(-\)3.689 \(\times\) 10\({}^{6}\) \\ CM17 & 12.17 & 149.45 & \(-\)729.5 & 1070 & \(-\)4177.6 & \(-\)31,234 & 1.678 \(\times\) 10\({}^{5}\) & \(-\)2.501 \(\times\) 10\({}^{5}\) \\ \hline \end{tabular}
\end{table} 
Table 3: Experimental coefficients (\(a_{i}\) and \(b_{i}\)) for adsorbent–adsorbate pairs.