Revisiting Melting Point Alternation in Hydrocarbons Using PIXELUnpublished Work (2009)
AbstractWe revisit the explanations for the alternation in melting points of linear alkanes by calculating the lattice energies using PIXEL. The lattice energies obtained from PIXEL at optimal box radium are in excellent agreement with the enthalpy of sublimation. Partitioning of the lattice energy indicate that arguments based on the gain in dispersion energy is insufficient to explain the alternation in melting points in linear alkanes. Entropy of fusion plays a major role in the explanation for the observed melting point alternation in alkanes.
- Alkane Melting Points,
- linear alkanes
Citation InformationDhandapani Venkataraman. "Revisiting Melting Point Alternation in Hydrocarbons Using PIXEL" Unpublished Work (2009)
Available at: http://works.bepress.com/d_venkataraman/4/