Table 2 Particle mobility calculated for studied generalised LJ systems (in normalised units) and for ethane (in K and \(nm^2 / (\mu s \cdot K)\) and \({\tilde{\mu }}=\mu \sqrt{\varepsilon M/\sigma ^2}\), where \(M=30.07\,g/mol\) is ethane molar mass).
From: Diffusion mobility increases linearly on liquid binodals above triple point
LJ12-4 | ||||||||||||||
T | 1.788 | 2.012 | 2.247 | 2.463 | 2.687 | 2.912 | 3.137 | 3.318 | 3.412 | 3.507 | 3.601 | 3.696 | 3.790 | 3.884 |
\(\rho\) | 0.944 | 0.914 | 0.882 | 0.850 | 0.819 | 0.783 | 0.749 | 0.719 | 0.703 | 0.687 | 0.670 | 0.653 | 0.635 | 0.617 |
\(\mu\) | 0.031 | 0.039 | 0.048 | 0.056 | 0.065 | 0.075 | 0.085 | 0.093 | 0.097 | 0.103 | 0.108 | 0.113 | 0.119 | 0.124 |
T | 4.073 | 4.168 | 4.262 | 4.309 | 4.368 | 4.426 | 4.485 | 4.544 | 4.602 | 4.661 | 4.720 | 4.778 | 4.837 | – |
\(\rho\) | 0.578 | 0.558 | 0.536 | 0.525 | 0.510 | 0.495 | 0.479 | 0.461 | 0.443 | 0.422 | 0.398 | 0.369 | 0.322 | – |
\(\mu\) | 0.137 | 0.144 | 0.154 | 0.159 | 0.163 | 0.172 | 0.178 | 0.186 | 0.198 | 0.208 | 0.223 | 0.246 | 0.286 | – |
LJ12-5 | ||||||||||||||
T | 1.032 | 1.160 | 1.288 | 1.416 | 1.544 | 1.672 | 1.704 | 1.739 | 1.773 | 1.808 | 1.842 | 1.877 | 1.911 | 1.946 |
\(\rho\) | 0.867 | 0.833 | 0.797 | 0.761 | 0.723 | 0.680 | 0.670 | 0.658 | 0.647 | 0.634 | 0.622 | 0.608 | 0.594 | 0.579 |
\(\mu\) | 0.041 | 0.054 | 0.068 | 0.082 | 0.096 | 0.115 | 0.119 | 0.124 | 0.130 | 0.134 | 0.142 | 0.147 | 0.152 | 0.161 |
T | 2.00 | 2.026 | 2.049 | 2.071 | 2.094 | 2.117 | 2.140 | 2.162 | – | – | – | – | – | – |
\(\rho\) | 0.552 | 0.539 | 0.525 | 0.511 | 0.494 | 0.475 | 0.451 | 0.416 | – | – | – | – | – | – |
\(\mu\) | 0.175 | 0.181 | 0.191 | 0.198 | 0.208 | 0.221 | 0.238 | 0.269 | – | – | – | – | – | – |
LJ12-6 | ||||||||||||||
T | 0.721 | 0.748 | 0.774 | 0.801 | 0.829 | 0.856 | 0.882 | 0.909 | 0.936 | 0.964 | 0.991 | 1.008 | 1.024 | 1.039 |
\(\rho\) | 0.832 | 0.821 | 0.808 | 0.796 | 0.784 | 0.772 | 0.758 | 0.745 | 0.733 | 0.717 | 0.704 | 0.694 | 0.685 | 0.676 |
\(\mu\) | 0.053 | 0.058 | 0.064 | 0.070 | 0.076 | 0.081 | 0.089 | 0.095 | 0.100 | 0.109 | 0.116 | 0.121 | 0.126 | 0.130 |
T | 1.070 | 1.085 | 1.100 | 1.116 | 1.131 | 1.146 | 1.161 | 1.172 | 1.185 | 1.198 | 1.211 | 1.224 | 1.237 | 1.250 |
\(\rho\) | 0.658 | 0.649 | 0.639 | 0.629 | 0.618 | 0.606 | 0.594 | 0.586 | 0.574 | 0.562 | 0.549 | 0.534 | 0.518 | 0.500 |
\(\mu\) | 0.141 | 0.145 | 0.150 | 0.156 | 0.163 | 0.170 | 0.177 | 0.183 | 0.189 | 0.198 | 0.206 | 0.216 | 0.226 | 0.240 |
T | 1.276 | – | – | – | – | – | – | – | – | – | – | – | – | – |
\(\rho\) | 0.447 | – | – | – | – | – | – | – | – | – | – | – | – | – |
\(\mu\) | 0.284 | – | – | – | – | – | – | – | – | – | – | – | – | – |
LJ16-6 | ||||||||||||||
T | 0.988 | 1.020 | 1.052 | 1.084 | 1.116 | 1.148 | 1.180 | 1.212 | 1.244 | 1.252 | 1.272 | 1.292 | 1.312 | 1.332 |
\(\rho\) | 0.813 | 0.801 | 0.789 | 0.777 | 0.764 | 0.748 | 0.733 | 0.717 | 0.702 | 0.695 | 0.684 | 0.673 | 0.662 | 0.650 |
\(\mu\) | 0.051 | 0.056 | 0.060 | 0.065 | 0.071 | 0.077 | 0.084 | 0.090 | 0.098 | 0.101 | 0.107 | 0.111 | 0.116 | 0.122 |
T | 1.373 | 1.393 | 1.413 | 1.428 | 1.444 | 1.460 | 1.476 | 1.492 | 1.508 | 1.525 | 1.541 | – | – | – |
\(\rho\) | 0.624 | 0.610 | 0.595 | 0.584 | 0.570 | 0.556 | 0.540 | 0.522 | 0.501 | 0.475 | 0.437 | – | – | – |
\(\mu\) | 0.136 | 0.142 | 0.149 | 0.156 | 0.163 | 0.171 | 0.181 | 0.194 | 0.208 | 0.224 | 0.255 | – | – | – |
Ethane | ||||||||||||||
T | 305 | 300 | 290 | 280 | 270 | 260 | 250 | 240 | 230 | 220 | 210 | 200 | 190 | 180 |
\(\mu\) | 109 | 100 | 83.9 | 71.7 | 62.7 | 56.6 | 51.5 | 46.5 | 41.6 | 37.7 | 34.3 | 30.5 | 27.3 | 24.1 |
\({\tilde{\mu }}\) | 0.324 | 0.297 | 0.250 | 0.213 | 0.186 | 0.168 | 0.153 | 0.138 | 0.124 | 0.112 | 0.102 | 0.091 | 0.081 | 0.072 |
T | 160 | 151 | 141 | 132 | 120 | 110 | 100 | – | – | – | – | – | – | – |
\(\mu\) | 17.9 | 15.4 | 12.6 | 10.1 | 7.27 | 5.2 | 3.37 | – | – | – | – | – | – | – |
\({\tilde{\mu }}\) | 0.053 | 0.046 | 0.037 | 0.030 | 0.022 | 0.015 | 0.010 | – | – | – | – | – | – | – |
