TT
T.T. Trinh
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Thermal conductivity of carbon dioxide from non-equilibrium molecular dynamics
A systematic study of several common force fields
We report a systematic investigation of the thermal conductivity of various three-site models of carbon dioxide (CO2) using nonequilibrium molecular dynamics in the temperature range 300–1000 K and for pressures up to 200 MPa. A direct comparison with experimental data is made. T
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