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Table B.5

Calculated thermochemical values of Jeong’s (TiO2)4.

T S° [− G° − H°(Tr)] /T H° − H°(Tr) ΔfH° ΔfG°
K J mol-1 K-1 J mol-1 K-1 kJ mol-1 kJ mol-1 kJ mol-1

0 0.000 Infinite –37.516 –2418.065 –2418.065
100 338.217 639.899 –30.724 –2425.133 –2386.327
200 427.169 510.600 –17.572 –2431.294 –2344.958
298.15 498.118 493.833 0.000 –2434.601 –2301.774
300 499.344 493.841 0.365 –2434.640 –2300.951
400 560.236 501.893 21.595 –2435.747 –2256.171
500 612.225 517.880 44.925 –2435.616 –2211.275
600 657.180 536.525 69.599 –2434.882 –2166.468
700 696.571 555.803 95.161 –2433.892 –2121.812
800 731.500 574.856 121.324 –2432.773 –2077.301
900 762.818 593.316 147.918 –2431.767 –2032.933
1000 791.160 611.036 174.822 –2431.196 –1988.652
1100 817.027 627.976 201.961 –2431.352 –1944.398
1200 840.797 644.140 229.280 –2448.210 –1899.618
1300 862.774 659.559 256.737 –2447.004 –1853.951
1400 883.203 674.274 284.307 –2446.122 –1808.359
1500 902.286 688.334 311.967 –2445.630 –1762.828
1600 920.187 701.782 339.703 –2445.583 –1717.318
1700 937.038 714.659 367.499 –2446.046 –1671.794
1800 952.954 727.008 395.345 –2447.072 –1626.212
1900 968.034 738.866 423.236 –2448.734 –1580.574
2000 982.360 750.265 451.166 –2509.820 –1533.003
2100 996.001 761.239 479.125 –2515.901 –1484.013
2200 1009.021 771.817 507.113 –2522.041 –1434.742
2300 1021.472 782.023 535.124 –2528.245 –1385.174
2400 1033.403 791.882 563.157 –2534.521 –1335.335
2500 1044.855 801.416 591.210 –2540.863 –1285.252
2600 1055.863 810.644 619.277 –2547.277 –1234.887
2700 1066.462 819.586 647.362 –2553.752 –1184.297
2800 1076.680 828.257 675.457 –2560.304 –1133.458
2900 1086.544 836.674 703.566 –2566.920 –1082.375
3000 1096.076 844.849 731.685 –2573.605 –1031.077
3100 1105.299 852.797 759.812 –2580.354 –979.547
3200 1114.233 860.530 787.949 –2587.168 –927.803
3300 1122.894 868.058 816.095 –2594.043 –875.830
3400 1131.298 875.392 844.248 –2600.978 –823.667
3500 1139.460 882.542 872.406 –2607.963 –771.289
3600 1147.394 889.516 900.570 –2615.015 –718.717
3700 1155.113 896.323 928.742 –4258.508 –634.792
3800 1162.627 902.970 956.918 –4260.723 –536.811
3900 1169.947 909.465 985.098 –4263.208 –438.785

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