Hinmers, S., Atkinson, George H., Critoph, Robert E. and van der Pal, Michel (2022) Data for Modelling and analysis of ammonia sorption reactions in halide salts. [Dataset]

	Plain Text (Readme file) README LTJ.txt - Published Version Available under License Creative Commons Attribution 4.0. Download (1366b)
	Plain Text (Readme file) README TC accuracy.txt - Published Version Available under License Creative Commons Attribution 4.0. Download (1961b)
	Archive (ZIP) (Dataset) IJR supporting Docs.zip - Published Version Available under License Creative Commons Attribution 4.0. Download (1169Kb)

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Abstract

This work has focussed on the development of an accurate method for testing and modelling the reaction kinetics involved in ammonia-salt adsorption reactions, something not achieved consistently to date. A Large Temperature Jump (LTJ) test cell has been developed for testing ammonia-salt reactions in real machine conditions. A Large Temperature Jump (LTJ) test cell has been developed for testing ammonia-salt reactions in real machine conditions. This was used to validate a new approach to modelling the behaviour and simulate the performance of chemisorption machines. A derivation of the heat transfer and thermodynamic equations are presented, and a finite difference model described which has been validated for the adsorption and desorption reactions of ammonia into halide salts within a porous matrix. The model is implemented in a MATLAB® program. Large Temperature Jump (LTJ) tests have been conducted on manganese chloride and barium chloride to validate the model and to identify the physical parameters which characterise the dynamic performance of the sorbent. The manganese chloride and barium chloride were impregnated in expanded natural graphite (ENG) (SGL SIGRATHERM®) board. The ENG board gave rise to practicable samples (31.5 mm OD ø over ½” tube) undergoing a desorption reaction in under 250 seconds with the fluid temperature 15°C above the equilibrium temperature, an order of magnitude faster than observed elsewhere. A new test method has been developed enabling an accurate single heat of reaction to be identified due to reduced hysteresis, which is reported for barium and manganese chloride. The model has been validated using experimental data from LTJ tests of two geometric configurations in radial heat transfer: discs heated/cooled from the outside radius (‘tube-side’) and annuli heated from the inner radius (‘shell-side’). The empirical data obtained is a milestone towards designed and optimised salt generators.

Item Type:	Dataset
Subjects:	Q Science > QD Chemistry
Divisions:	Faculty of Science, Engineering and Medicine > Engineering > Engineering
Type of Data:	experimental and theoretical work
Library of Congress Subject Headings (LCSH):	Chemisorption, Ammonia -- Absorption and adsorption, Halide minerals -- Absorption and adsorption, Reaction mechanisms (Chemistry)
Publisher:	University of Warwick, School of Engineering
Official Date:	2 February 2022
Dates:	Date Event 2 February 2022 Published 12 May 2021 Available 7 May 2021 Created
Status:	Not Peer Reviewed
Publication Status:	Published
Media of Output (format):	.m .xlsx
Access rights to Published version:	Open Access (Creative Commons)
Copyright Holders:	University of Warwick
Description:	Matlab Code, Matlab function, experimental data set and Deadweight Pressure Check Results and Thermocouple Tests
Date of first compliant deposit:	12 May 2021
Date of first compliant Open Access:	13 May 2021
RIOXX Funder/Project Grant:	Project/Grant ID RIOXX Funder Name Funder ID EP/V011316/1 [EPSRC] Engineering and Physical Sciences Research Council http://dx.doi.org/10.13039/501100000266 EP/R045496/1 [EPSRC] Engineering and Physical Sciences Research Council http://dx.doi.org/10.13039/501100000266 Energy Research Accelerator Innovate UK http://dx.doi.org/10.13039/501100006041
Related URLs:	Related item in WRAP Other
Contributors:	Contribution Name Contributor ID Depositor Hinmers, S. 86755

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