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. 2020 Nov 2;6(11):e05385. doi: 10.1016/j.heliyon.2020.e05385

Table 3.

The Molecular Dynamics simulated and calculated for diffusion coefficient of methane in water at T = 298 K.

C (ppm) DABMD(cm2/s)×105 DABCalc(cm2/s)×105
300 2.44276 2.443087
400 2.275016 2.31165
500 2.246983 2.200888
1000 1.90013 1.908341
1500 1.92625 1.92325
2000 2.05433 2.071096
2500 2.196516 2.067516