On Fri, Mar 14, 2014 at 09:29:27AM +0100, Stefaan Cottenier wrote: > > This is a typical numerical annoyance -- the enthalpy curves of both > phases are shallowly intersecting. And plotting the difference as a > function of pressure is tricky because you don't have the same pressure > grid for both phases. > > However, as you have all parameters of the (Birch-)Murnaghan equation at > this stage, you can find the volume and the energy at any given pressure > (for the Murnaghan equation, you even have the analytical expression at > Wikipedia -- http://en.wikipedia.org/wiki/Murnaghan_equation_of_state). > And therefore also the enthalpy at that pressure. Hence, you can > construct the enthalpies for both phases on the same pressure grid. > > Stefaan
Stefaan, Murnaghan, Birch-Murnaghan, Poirier-Tarantola, ... There is a huge unmber of EOS that can be analyzed simultaneously. This is examined in the code named asturfit, an octave package published in CPC (Comput. Phys. Commun. 182(2011)1708) <doi:10.1016/j.cpc.2011.04.016>. Regards, Dr. Víctor Luaña -- \|/ |^.^| +---!OO--\_/--OO!------------------------------+----------------------- ! Dr.Víctor Luaña ! ! Departamento de Química Física y Analítica ! ! Universidad de Oviedo, 33006-Oviedo, Spain ! ! e-mail: %%vic...@fluor.quimica.uniovi.es%% ! ! phone: +34-985-103491 fax: +34-985-103125 ! +----------------------------------------------+ GroupPage : http://azufre.quimica.uniovi.es/ (being reworked) Instititional email: <vlu...@uniovi.es> _______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html