A Simulation Of The Behaviour Of Propane Bulks
On A Grid Platform
Author(s)
A. Lagan`a & A. Costantini
Abstract
The increasing interest for the Ozone hole problem has prompted the European
Union to ban the use of CFCs and HCFCs before the year 2015 (Copenaghen
amendments). For this reason, intense research is presently being carried out to
find alternative refrigerant fluids. Propane is one of these fluids and in order to
understand its properties we carried out molecular dynamics simulations. In this
paper we examine the results of our simulations and the difficulties met when
implementing in parallel the suite of codes used for the molecular dynamics
studies.
Keywords: propane, frigorigen fluids, molecular dynamics, thermodynamic
properties
1 Introduction
Due to the recently approved Copenhagen amendments, the use of CFCs
and HCFCs will be definitively banned before the year 2015. Hydrocarbons
(HC) are being considered as an appropriate alternative. In particular HCs
are considered as a long-term alternative refrigerant with no impact on global
environment and in particular on stratospheric ozone depletion and global
warming. Propane (also called R-290) is among them. It is therefore of great
interest to carry out accurate computational simulations of propane bulks in order
to rationalize their macroscopic properties and to single out in an ab initio way the
theoretical foundations of their behaviour. Unfortunately this requires an amount
of computing resources which is not always available. At present, a technology
able to offer prospective affordable solutions to such a problem is Grid computing
[1]. For this reason we decided to start a computational investigation aimed at
constructing in an a priori fashion the state diagram of propane [2] on the EGEE-
Keywords
propane, frigorigen fluids, molecular dynamics, thermodynamic
properties
Related Book
Other papers in this volume
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