2006 | OriginalPaper | Chapter
Parallel Calculation of Propane Bulk Properties
Authors : Alessandro Costantini, Antonio Laganà, Fernando Pirani
Published in: Computational Science and Its Applications - ICCSA 2006
Publisher: Springer Berlin Heidelberg
Activate our intelligent search to find suitable subject content or patents.
Select sections of text to find matching patents with Artificial Intelligence. powered by
Select sections of text to find additional relevant content using AI-assisted search. powered by
The density of propane bulk system (in gas and liquid phase) have been estimated using molecular dynamics calculations. The effect of adopting two different force fields (OPLS/AMBER and Atom-Bond), varying the number of processors and increasing the numbers of molecules has been analysed.