skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Systems Modeling, Simulation and Material Operating Requirements for Chemical Hydride Based Hydrogen Storage

Abstract

Research on ammonia borane (AB, NH3BH3) has shown it to be a promising material for chemical hydride based hydrogen storage. AB was selected by DOE's Hydrogen Storage Engineering Center of Excellence (HSECoE) as the initial chemical hydride of study because of its high hydrogen storage capacity (up to 19.6% by weight for the release of {approx}2.5 molar equivalents of hydrogen gas) and its stability under typical ambient conditions. A new systems concept based on augers, ballast tank, hydrogen heat exchanger and H2 burner was designed and implemented in simulation. In this design, the chemical hydride material was assumed to produce H2 on the augers itself, thus minimizing the size of ballast tank and reactor. One dimensional models based on conservation of mass, species and energy were used to predict important state variables such as reactant and product concentrations, temperatures of various components, flow rates, along with pressure, in various components of the storage system. Various subsystem components in the models were coded as C language S-functions and implemented in Matlab/Simulink environment. The control variable AB (or alane) flow rate was determined through a simple expression based on the ballast tank pressure, H2 demand from the fuel cell and hydrogen productionmore » from AB (or alane) in the reactor. System simulation results for solid AB, liquid AB and alane for both steady state and transient drive cycle cases indicate the usefulness of the model for further analysis and prototype development.« less

Authors:
; ; ;
Publication Date:
Research Org.:
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1033448
Report Number(s):
PNNL-SA-76656
Journal ID: ISSN 0360-3199; IJHEDX; HT0202000; TRN: US201202%%760
DOE Contract Number:  
AC05-76RL01830
Resource Type:
Journal Article
Journal Name:
International Journal of Hydrogen Energy
Additional Journal Information:
Journal Volume: 37; Journal Issue: 3; Journal ID: ISSN 0360-3199
Country of Publication:
United States
Language:
English
Subject:
08 HYDROGEN; 30 DIRECT ENERGY CONVERSION; AMMONIA; BORANES; BURNERS; CAPACITY; DESIGN; FLOW RATE; FUEL CELLS; HEAT EXCHANGERS; HYDRIDES; HYDROGEN; HYDROGEN PRODUCTION; HYDROGEN STORAGE; SIMULATION; STABILITY; STORAGE; TANKS; TRANSIENTS; Hydrogen storage, Chemical hydride, Ammonia Borane, Kinetic modeling, Material operating requirements, Systems simulation.

Citation Formats

Devarakonda, Maruthi N, Brooks, Kriston P, Ronnebro, Ewa, and Rassat, Scot D. Systems Modeling, Simulation and Material Operating Requirements for Chemical Hydride Based Hydrogen Storage. United States: N. p., 2012. Web. doi:10.1016/j.ijhydene.2011.06.121.
Devarakonda, Maruthi N, Brooks, Kriston P, Ronnebro, Ewa, & Rassat, Scot D. Systems Modeling, Simulation and Material Operating Requirements for Chemical Hydride Based Hydrogen Storage. United States. https://doi.org/10.1016/j.ijhydene.2011.06.121
Devarakonda, Maruthi N, Brooks, Kriston P, Ronnebro, Ewa, and Rassat, Scot D. 2012. "Systems Modeling, Simulation and Material Operating Requirements for Chemical Hydride Based Hydrogen Storage". United States. https://doi.org/10.1016/j.ijhydene.2011.06.121.
@article{osti_1033448,
title = {Systems Modeling, Simulation and Material Operating Requirements for Chemical Hydride Based Hydrogen Storage},
author = {Devarakonda, Maruthi N and Brooks, Kriston P and Ronnebro, Ewa and Rassat, Scot D},
abstractNote = {Research on ammonia borane (AB, NH3BH3) has shown it to be a promising material for chemical hydride based hydrogen storage. AB was selected by DOE's Hydrogen Storage Engineering Center of Excellence (HSECoE) as the initial chemical hydride of study because of its high hydrogen storage capacity (up to 19.6% by weight for the release of {approx}2.5 molar equivalents of hydrogen gas) and its stability under typical ambient conditions. A new systems concept based on augers, ballast tank, hydrogen heat exchanger and H2 burner was designed and implemented in simulation. In this design, the chemical hydride material was assumed to produce H2 on the augers itself, thus minimizing the size of ballast tank and reactor. One dimensional models based on conservation of mass, species and energy were used to predict important state variables such as reactant and product concentrations, temperatures of various components, flow rates, along with pressure, in various components of the storage system. Various subsystem components in the models were coded as C language S-functions and implemented in Matlab/Simulink environment. The control variable AB (or alane) flow rate was determined through a simple expression based on the ballast tank pressure, H2 demand from the fuel cell and hydrogen production from AB (or alane) in the reactor. System simulation results for solid AB, liquid AB and alane for both steady state and transient drive cycle cases indicate the usefulness of the model for further analysis and prototype development.},
doi = {10.1016/j.ijhydene.2011.06.121},
url = {https://www.osti.gov/biblio/1033448}, journal = {International Journal of Hydrogen Energy},
issn = {0360-3199},
number = 3,
volume = 37,
place = {United States},
year = {Wed Feb 01 00:00:00 EST 2012},
month = {Wed Feb 01 00:00:00 EST 2012}
}