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Table B.9

Calculated thermochemical values of Jeong’s (TiO2)6.

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 –56.566 –3849.996 –3849.996
100 428.245 887.254 –46.671 –3860.891 –3794.774
200 562.553 690.552 –26.798 –3869.986 –3724.842
298.15 670.742 664.971 0.000 –3874.508 –3652.477
300 672.618 664.974 0.562 –3874.552 –3651.098
400 765.871 677.310 33.073 –3875.544 –3576.387
500 845.574 701.807 68.838 –3874.580 –3501.686
600 914.488 730.381 106.661 –3872.667 –3427.277
700 974.844 759.919 145.831 –3870.355 –3353.226
800 1028.359 789.117 185.914 –3867.837 –3279.517
900 1076.324 817.403 226.644 –3865.490 –3206.124
1000 1119.723 844.553 267.840 –3863.791 –3132.958
1100 1159.323 870.505 309.389 –3863.187 –3059.917
1200 1195.705 895.264 351.205 –3887.635 –2986.160
1300 1229.346 918.883 393.234 –3884.984 –2911.145
1400 1260.613 941.424 435.426 –3882.824 –2836.311
1500 1289.815 962.955 477.754 –3881.247 –2761.622
1600 1317.207 983.548 520.195 –3880.338 –2687.024
1700 1342.989 1003.267 562.726 –3880.198 –2612.456
1800 1367.343 1022.175 605.333 –3880.899 –2537.848
1900 1390.415 1040.331 648.005 –3882.555 –2463.207
2000 1412.331 1057.785 690.732 –3973.352 –2385.710
2100 1433.200 1074.585 733.507 –3981.637 –2306.123
2200 1453.119 1090.778 776.323 –3990.012 –2226.155
2300 1472.168 1106.402 819.177 –3998.483 –2145.782
2400 1490.420 1121.494 862.062 –4007.060 –2065.036
2500 1507.937 1136.088 904.973 –4015.743 –1983.960
2600 1524.777 1150.214 947.910 –4024.525 –1902.496
2700 1540.989 1163.900 990.869 –4033.407 –1820.723
2800 1556.619 1177.172 1033.846 –4042.402 –1738.611
2900 1571.707 1190.054 1076.843 –4051.490 –1656.158
3000 1586.289 1202.568 1119.854 –4060.685 –1573.419
3100 1600.397 1214.732 1162.881 –4069.973 –1490.354
3200 1614.061 1226.566 1205.918 –4079.364 –1406.996
3300 1627.309 1238.089 1248.969 –4088.843 –1323.322
3400 1640.165 1249.313 1292.032 –4098.412 –1239.389
3500 1652.650 1260.254 1335.103 –4108.057 –1155.155
3600 1664.786 1270.928 1378.183 –4117.801 –1070.654
3700 1676.592 1281.344 1421.272 –6582.208 –939.146
3800 1688.085 1291.516 1464.367 –6584.701 –786.581
3900 1699.282 1301.455 1507.473 –6587.591 –633.968

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