Computer simulation of a pressure‐volume‐temperature process

Abstract

Purpose

The study of pressure‐volume‐temperature (PVT) process is necessary to understand the physical behaviour of materials. This paper seeks to develop a simulation procedure to predict phase behaviour.

Design/methodology/approach

The procedure consisted of the application of a thermo‐mechanical nonlinear model that simulated the behavior of the test sample in the PVT apparatus. Software Ansys was used for modeling this case, making a subroutine in APDL language. The real time data of the experimental procedure in PVT apparatus were applied in the computer simulation, that is the real time of application of pressure and heating scaling of the sample were taken into account. A specific case was simulated and its results compared with those obtained from the real experimental test. In order to evaluate phase changes, enthalpy was considered using an approximated expression described in the paper.

Findings

Results obtained from the simulation were compared with the resulting isobaric graphics of the experimental test. Results show a good correlation, obtaining in addition stress‐strain behavior of the sample. This simulation procedure allows one in a simple way to vary the properties and characteristics of the sample. This makes the computer simulation a useful tool together with the experimental test, in the development of novel materials.

Research limitations/implications

Results of the numerical simulation are based on the properties and characteristics of the sample. In this study, real data of the material were used; however, some others had to be assumed based on references on this topic.

Practical implications

The coupled field analysis and the subroutine built in an Ansys environment are of a general purpose applicable to many kinds of material without practical limitations but getting a priori the required data and properties needed for running the simulation test.

Originality/value

Computer simulation of PVT process is not a common procedure – the experimental study of the material is mainly the procedure used to define the stated equations of a material and for knowing their phase changes. Computer simulation is a procedure that provides other important features of the material that the experimental study cannot produce simultaneously.

Citation

Horta‐Rangel, J., Hernández‐Zaragoza, J., Pérez‐Rea, L., López‐Lara, T., López‐Cajun, C. and Castano, V.M. (2008), "Computer simulation of a pressure‐volume‐temperature process", International Journal of Numerical Methods for Heat & Fluid Flow, Vol. 18 No. 1, pp. 24-35. https://doi.org/10.1108/09615530810839723