81. june 8 glass degradation all media-rieke

1. Used Fuel Disposition Campaign
Integration of Glass Degradation
Model into the PA Model
Peter C. Rieke, Sebastian Kerisit, Joe Ryan
Pacific Northwest National Laboratory
UFD Annual Meeting
June 8th, 2016
THE PACIFIC NORTHWEST NATIONAL LABORATORY, operated by BATTELLE for
the UNITED STATES DEPARTMENT OF ENERGY under contract DE-AC05-76RL01830

2. Used
Fuel
Disposition
June 8th 2016 UFD Annual Meeting 2
Glass Models Developed in Glass
Corrosion Modeling Tool
 Aagaard-Helgeson (Transition State Theory)
– Simple Algebraic
Formulation
 GRAAL Model
– Time Stepping Solver
 Grambow-Mueller Model
– 1D, Time Stepping Solver
( )2
1
0 exp 1
SiO aqa
gls H
g
CE
R k a
RT K
ν
η
+
    = −         
( )11 = 0
1
ge e
e g
g g
h
dLdL dLQr L
dt K dt dtL
r D
α
 
   
=− − ≥           +  
  

3. Used
Fuel
Disposition
June 8th 2016 UFD Annual Meeting 3
Glass Models Developed in Glass
Corrosion Modeling Tool
 New Gel End Member (GEM) Model
– Thermodynamic Model of Gel Composition from Glass Hydrolysis
– Kinetic Model of Gel Phase(s) Dissolution
– Still Under Development.
 Stage III Glass Dissolution Driven by Mineral Precipitation
– Include in Glass Alteration Models Given Above
– Include as Separate Process in Pflotran
( )min 0min fi
i i i i
QdC dCS
J f C C
dt V dt V
 
= − − − 
 

4. Used
Fuel
Disposition
June 8th 2016 UFD Annual Meeting 4
Work Progress
 Pflotran Installed and Tested on ‘Cascade’
 FMDM Model Installed and Tested for 40 Waste Form
 Waste Form Module Underwent Extensive Revision
 New Waste Form Mechanism Cloned using the FMDM, Custom,
and Glass Mechanisms as Templates
– New Chemistry Specific to Glass Model Mapped to Pflotran Chemistry
– Input File Read Routine Modified to Read New Mechanism
– Simple AH/TST Model Place Holder
 Glass Degradation Model Interface is Operational
 Tested on a 11x11x5 Structured Grid with One Waste Form
( )2
0 exp 1
SiO aqa
gls H
g
CE
R k a
RT K
η
+
  
−     

5. Used
Fuel
Disposition
June 8th 2016 UFD Annual Meeting 5
Future Work
 Validate Model Unit Conversion
 Isolate Model as Separate Subroutine
 Develop Model Using PETSC Tools
 Run with Multiple and/or Mixed Type Waste Forms
 Run with Canister Breaching Option
 Create an Interface to Glass Composition Data