(739g) Greenhouse Gas Capture: A Recent Theoretical Advancement
AIChE Annual Meeting
2018
2018 AIChE Annual Meeting
Computational Molecular Science and Engineering Forum
Recent Advances in Molecular Simulation Methods II
Friday, November 2, 2018 - 9:30am to 9:45am
Asymmetric solutions are the rule rather than the exception in vapor-liquid (VLE) equilibria situation. This asymmetry stems from the difference in the interaction between the solute and solvent particles in the systems. The solubility of Greenhouse gases can be modelled using Henryâs Law at the subcritical temperature where the temperature (T) is far below the supercritical temperature (Tc). The analytical extrapolation vapor pressure in the near supercritical region usually leads to the underestimation of pressure. In this talk, we will show just by invoking the new concept of asymmetric interaction into the systems, one is able to improve the prediction of solubility of CO2 in room temperature ionic liquids (RTILs). Also, one can use the model to predict the solubility over a wide range of temperatures and pressures from the near subcritical to the near supercritical region with an average absolute relative deviation (AARD) of 14%. Also, the new asymmetric model is found to improve the CO2 solubility in RTILs with an AARD of 11.44% at ambient condition with respect to the other solubility models of Greenhouse gas capture in this field.
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AIChE Pro Members | $150.00 |
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AIChE Undergraduate Student Members | Free |
AIChE Explorer Members | $225.00 |
Non-Members | $225.00 |