物理吸附实验温度的选择与所使用的吸附质性质密切相关，其中在实验之前必须已知三个与吸附质有关的物理参数，包括温度、饱和蒸汽压测量方式（如测量、输入等）和气体非理想系数（见下表），并将它们准确定义于系统文件中
| 吸附质 | 温度（K) | 非理想系数（torr-1） | P0 （torr） | 分子量（g/mol） | 临界温度（K) |
| Acetone丙酮 | 298 | 1.2080E-04 | 184.62 | 58.08 | 508.1 |
| Acetonitrile乙腈 | 298 | 3.4560E-04 | 72.825 | 41.05 | 548 |
| Acetylene乙炔 | 298 | 1.1630E-05 | 37946 | 26.04 | 308.1 |
| Ammonia氨 | 298 | 1.4610E-05 | 7490.2 | 17.03 | 405.7 |
| Argon氩气 | 77.35 | 1.1400E-04 | 205(s) | 39.948 | 151 |
| 230(l) | |||||
| 87.45 | 3.9400E-05 | 771.94 | |||
| Benzene苯 | 298 | 1.0950E-04 | 94.519 | 78.11 | 562 |
| Butane丁烷 | 273 | 1.4200E-04 | 769.87 | 58.12 | 425 |
| 298 | 3.9500E-05 | 1816.3 | |||
| n-Butanol正丁醇 | 298 | 1.4970E-04 | 4.79736 | 74.12 | 563.1 |
| Carbon Dioxide二氧化碳 | 195 | 2.5700E-05 | 760.98 | 44.01 | 304.2 |
| 273 | 9.0780E-06 | 26037 | |||
| 298 | 6.8420E-06 | 48095 | |||
| Carbon Monoxide一氧化碳 | 87.45 | 4.6400E-05 | 1404 | 28.01 | 133.9 |
| Cyclohexane环己烷 | 298 | 9.3410E-05 | 96.978 | 84.16 | 553.5 |
| Ethane乙烷 | 298 | 9.9120E-06 | 31329 | 30.07 | 305.3 |
| Ethanol乙醇 | 298 | 2.7160E-04 | 44.604 | 46.07 | 513.9 |
| Ethyl Acetate乙酸乙酯 | 298 | 1.3270E-04 | 74.38 | 88.105 | 530.6 |
| Hexane己烷 | 298 | 1.1370E-04 | 121.41 | 86.17 | 507.4 |
| n-Hexanol | 298 | 6.6300E-05 | 0.6697 | 102.18 | 611 |
| Hydrogen氢气 | 77.35 | 2.1600E-06 | N/A | 2.016 | 33.3 |
| 87.45 | 1.1800E-06 | N/A | |||
| 97 | 5.3500E-07 | N/A | |||
| 107 | 9.8500E-08 | N/A | |||
| Isopropanol异丙醇 | 298 | 1.8850E-04 | 33.105 | 60.09 | 508.3 |
| Krypton氪气 | 77.35 | 3.0000E-05 | 1.6 | 83.8 | 209 |
| 2.63 | |||||
| 87.45 | 2.0000E-05 | 13 | |||
| Methane甲烷 | 273 | 3.1500E-06 | N/A | 16.04 | 190.4 |
| 298 | 2.3100E-06 | N/A | |||
| Methanol甲醇 | 293 | 1.0040E-04 | 96.958 | 32.04 | 512.6 |
| 298 | 9.4410E-05 | 126.38 | |||
| 303 | 8.8750E-05 | 163.14 | |||
| 313 | 7.8350E-05 | 264.55 | |||
| Nitrogen氮气 | 77.35 | 6.5800E-05 | 759.55 | 28.02 | 126.2 |
| 298 | 2.1680E-07 | N/A | |||
| Nitrous Oxide一氧化二氮 | 298 | 7.0040E-06 | 42251 | 44.02 | 309.7 |
| Oxygen氧气 | 77.35 | 6.7990E-05 | 155.61 | 31.999 | 154.6 |
| 87.45 | 4.6500E-05 | 565.32 | |||
| 298 | 8.6270E-07 | N/A | |||
| n-Pentanol正戊醇 | 298 | 5.3200E-05 | 1.5464 | 88.15 | 588.2 |
| n-Propanol正丙醇 | 298 | 1.5870E-04 | 14.922 | 60.09 | 536.8 |
| Sulfur Dioxide二氧化硫 | 298 | 1.1900E-05 | 2928.4 | 64.06 | 430.6 |
| Sulfur Hexafluoride六氟化硫 | 298 | 1.5030E-05 | 17678 | 146.05 | 318.7 |
| Tetrahydrofuran四氢呋喃 | 298 | 3.2400E-05 | 129.64 | 72.11 | 540.1 |
| Toluene甲苯 | 298 | 1.5050E-04 | 21.894 | 92.13 | 592.2 |
| Water水 | 293 | 6.8520E-05 | 17.384 | 18.02 | 647.1 |
| 298 | 6.2460E-05 | 23.565 | |||
| 303 | 5.7060E-05 | 31.582 | |||
| 313 | 4.7930E-05 | 54.95 |
