Unpublished Paper
Revisiting Melting Point Alternation in Hydrocarbons Using PIXEL
Unpublished Work
(2009)
Abstract
We 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.
Keywords
- Alkane Melting Points,
- Propane,
- linear alkanes
Disciplines
Publication Date
2009
Comments
This paper was submitted for publication but was rejected. The key argument by the referees was the suitability of PIXEL to be used for these calculations. We still believe that entropy may be a better explanation but decided not to pursue this line due to time constraints. We provide this paper as unpublished in case any body is interested. We will also provide the Referee's objections if needed.
Citation Information
Dhandapani Venkataraman. "Revisiting Melting Point Alternation in Hydrocarbons Using PIXEL" Unpublished Work (2009) Available at: http://works.bepress.com/d_venkataraman/4/