Worked Examples

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In this section you will find some worked examples to show you how to use the EoSFit7 program for fitting P-V data.


Example


Example dataset

High pressure

High precision PV dataset. Shows you how to read in data, estimate EoS parameters, fit the data, and evaluate the results.

PV_quartz.dat

High pressure with transition

High precision PV dataset with a phase transition. Shows you how to divide the dataset to fit two separate EoS for the two phases, and evaluate and use the results.


This also illustrates how  a dataset with just unit-cell  can be used to determine the PV behaviour.

Pcell_hexagonal.dat

High temperature

TV dataset. Shows you how to perform fit of thermal expansion.

rutile.dat

Pressure and temperature

PVT dataset. Shows you how to safely fit a PVT dataset by first fitting an isothermal EoS, and then fitting the entire data.

Spessartine_Vmolar.dat

Fitting Moduli

Simultaneous fitting of moduli and volume data

quartz_moduli.dat



If you have interesting examples, please share them with us by sending the data and a description to rossangelsoftware@gmail.com !