Predicting the Behaviour of Near-Critical and Supercritical Alcohols at Microwave Frequencies: Validation of Molecular Dynamic Simulations as a Tool that can Substitute for Measurements under Extreme Experimental Conditions
(2019)
Journal Article
Robinson, D., Irvine, D. J., Robinson, J. P., Lester, E. H., Kingman, S. W., & Dimitrakis, G. (2019). Predicting the Behaviour of Near-Critical and Supercritical Alcohols at Microwave Frequencies: Validation of Molecular Dynamic Simulations as a Tool that can Substitute for Measurements under Extreme Experimental Conditions. Journal of Supercritical Fluids, 146, 165-171. https://doi.org/10.1016/j.supflu.2019.01.018
Equilibrium and non-equilibrium molecular dynamic simulations, predicting the dielectric properties of near-critical and supercritical methanol and ethanol at microwave frequencies have been carried out. The autocorrelation functions of the dielectri... Read More about Predicting the Behaviour of Near-Critical and Supercritical Alcohols at Microwave Frequencies: Validation of Molecular Dynamic Simulations as a Tool that can Substitute for Measurements under Extreme Experimental Conditions.