Metal Hydride Single Segment Filling Fraction MATLAB Script
Description
MATLAB scripts used for calculating Metal Hydride Pressure-Concentration-Temperature Isotherms using an adapted version of Lototskyy's model published in 2016 in the International Journal of Hydrogen Energy. ABS_Cp is used to calculate the single-segment filling fraction for given pressure and temperature for the absorption state, and DES_Cp is used to calculate the single-segment filling fraction for given pressure and temperature for the desorption state. If you use these scripts for research purposes, kindly cite them per the dayabase citation: Faurie, Douw (2025), “Metal Hydride Single Segment Filling Fraction MATLAB Script”, Mendeley Data, V1, doi: 10.17632/yc5x4hxkm4.1
Files
Steps to reproduce
ABS_Cp used to calculate the single-segment filling fraction for a given pressure and temperature for the absorption state, and DES_Cp is used to calculate the single-segment filling fraction for a given pressure and temperature for the desorption state. They require the fitting parameters, aside from the Cmax and segment weight parameter, along with pressure and temperature as input parameters, resulting in the calculation of the single-segment filling fraction. Once all segment filling fractions are calculated, each is then multiplied by the segment weight, then summed and multiplied by the maximum concentration to find the concentration at the given pressure and temperature. Generated using an adapted Lototskyy's isotherm model published in 2016 and simulated using the methodology published by Faurie & Premlall 2025. Sources: Faurie, D.G., & Premlall, K. 2025. Simulating non-ideal AB5 metal hydride pressure–concentration–temperature isotherms in MATLAB. Multiscale and Multidisciplinary Modeling, Experiments and Design 8(3): p.194. Available at: https://link.springer.com/10.1007/s41939-025-00780-9. Lototskyy, M. V. 2016. New model of phase equilibria in metal - Hydrogen systems: Features and software. International Journal of Hydrogen Energy 41(4): p.2739–2761. Available at: http://dx.doi.org/10.1016/j.ijhydene.2015.12.055.
Institutions
- Tshwane University of Technology