Simulating non-ideal AB5 Metal Hydride Pressure-Concentration- Temperature Isotherms in MATLAB

Simulating non-ideal AB5 Metal Hydride Pressure-Concentration- Temperature Isotherms in MATLAB | Research Square window.SnipcartSettings = { analytics: { enabled: false } }; (function() { var accessVector = localStorage.getItem('access_vector') || ''; window.dataLayer = window.dataLayer || []; if (accessVector) { window.dataLayer.push({ user: { profile: { profileInfo: { snid: accessVector } } } }); } })(); (function(w,d,s,l,i){w[l]=w[l]||[];w[l].push({'gtm.start':new Date().getTime(),event:'gtm.js'});var f=d.getElementsByTagName(s)[0],j=d.createElement(s),dl=l!='dataLayer'?'&l='+l:'';j.async=true;j.src='https://www.googletagmanager.com/gtm.js?id='+i+dl;f.parentNode.insertBefore(j,f);})(window,document,'script','dataLayer','GTM-K279D39R'); Browse Preprints In Review Journals COVID-19 Preprints AJE Video Bytes Research Tools Research Promotion AJE Professional Editing AJE Rubriq About Preprint Platform In Review Editorial Policies Our Team Advisory Board Help Center Sign In Submit a Preprint Cite Share Download PDF Research Article Simulating non-ideal AB5 Metal Hydride Pressure-Concentration- Temperature Isotherms in MATLAB Faurie DG, Kasturie Premlall This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-5460546/v1 This work is licensed under a CC BY 4.0 License Status: Published Journal Publication published 19 Feb, 2025 Read the published version in Multiscale and Multidisciplinary Modeling, Experiments and Design → Version 1 posted 12 You are reading this latest preprint version Abstract Hydride-forming metal isotherms are complex due to the inherent multi-dimensional pressure-concentration-temperature dependencies. Hydrogen adsorbs to the surface of the hydride forming metal, then dissociating and diffusing into the metal. So doing boding with the metal, a further increase in pressure causes the hydride to undergo a change from low-pressure hydrides to high-pressure hydrides. Naturally, desorption is considered a reverse of the mechanism. These unique phenomena combined pose a challenge to modelling non-ideal gas-metal isotherms with hydrogen concentration as a function of pressure and temperature. This article reports the simulation of non-ideal hydride-forming metals, focusing on AB5-type hydride-forming metals. This was done as a numerical simulation in MATLAB, using a non-ideal gas-metal isotherm model after which the simulations were experimentally validated. The semi-empirical non-ideal model requires numerical methods to solve, making a simulation key for the widespread use of the model. The numerical simulation produced can predict pressure-concentration-temperature isotherms with high accuracy. Numerical Simulation Metal Hydrides Isotherms AB5 Metal Hydrides Simulation Full Text Additional Declarations No competing interests reported. Cite Share Download PDF Status: Published Journal Publication published 19 Feb, 2025 Read the published version in Multiscale and Multidisciplinary Modeling, Experiments and Design → Version 1 posted Editorial decision: Revision requested 20 Dec, 2024 Reviews received at journal 19 Dec, 2024 Reviewers agreed at journal 11 Dec, 2024 Reviews received at journal 02 Dec, 2024 Reviewers agreed at journal 22 Nov, 2024 Reviewers agreed at journal 19 Nov, 2024 Reviews received at journal 18 Nov, 2024 Reviewers agreed at journal 16 Nov, 2024 Reviewers invited by journal 16 Nov, 2024 Editor assigned by journal 16 Nov, 2024 Submission checks completed at journal 16 Nov, 2024 First submitted to journal 15 Nov, 2024 You are reading this latest preprint version Research Square lets you share your work early, gain feedback from the community, and start making changes to your manuscript prior to peer review in a journal. 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