Introduction to

MELCOR and the

RN Package
Session 1

Presented by
Jesse Phillips
[email protected]

SAND2018-4262 PE
EMUG 2018 Workshop
1
 MELCOR Physics
• Thermal/hydraulic response
• Combustible gas generation, transport, and deflagration
• Aerosol/vapor release, behavior, transport, deposition
• Core heatup and degradation
– PWRs, BWRs, and other designs (e.g., SFP)
• Ex-vessel molten core/concrete interactions
• Relocation of decay heat sources
• High pressure melt ejection, direct containment heating
• Performance and impact of Sprays and Engineered Safety
Systems
– Sprays, filters, fans, coolers, ice condensers, hydrogen
recombiners

EMUG 2018 Workshop

2
 MELCOR Code Structure
• Major pieces of MELCOR referred to as “Packages”
– Larger than usually implied by “module”
– Do not correspond to ancestral codes
• Three general types of packages in MELCOR
– Basic physical phenomena
• Hydrodynamics, heat and mass transfer to structures, gas
combustion, aerosol and vapor physics
– Reactor-specific phenomena
• Decay heat generation, core degradation, ex-vessel phenomena,
sprays and ESFs
– Support functions used by both
• Thermodynamics, equations of state, other material properties,
data-handling utilities, equation solvers

EMUG 2018 Workshop

3
MELCOR Building Block Approach
• Generic models
–No “built-in” nodalization
• Building block approach
–More flexibility means greater user responsibility
–Now developing engineering interface to simplify
input
• Anticipate that it will contain “templates” for some
common subsystems
• Maintainable code structure
–Modular architecture, portable to new systems

EMUG 2018 Workshop

4
 MELCOR Control Functions
• “Control Functions” are simply user-defined functions
– May be LOGICAL- or REAL-valued
– All functions are evaluated at the start of every time step
• All control-function-based models numerically explicit
• They have many uses, not just control
– Define valve behavior, failure conditions, SCRAM criteria
• Little predefined logic, but great flexibility
– Define internally-calculated sources, boundary conditions
• Many variables in the MELCOR database are available as arguments for
control functions
– Any such variables can be written to an external data file
– Any such variable can be added to the plot file
! Stress in a thick-walled pipe as function of pressures
CF_ID ‘Stress’ FORMULA
CF_SAI 1.0
CF_FORMULA 4 ((C1^2+C2^2)*A-2*C2^2*B)/(C2^2-C1^2)
1 A CVH-P(CV500) ! Inner pressure (hot leg)
2 B CVH-P(CV8) ! Outer pressure (containment)
3 C1 0.37 ! Inner radius
4 C2 0.45 ! Outer radius

EMUG 2018 Workshop

5
 Control Volume
• A region of space that contains hydrodynamic materials
• Properties correspond roughly to “cell centered” variables in
finite-difference CFD formulations
• Need to define:
–Geometry
–Contents (liquid water, water vapor, N2, O2, etc.)
–Thermodynamic states (equil, nonequil)
–Pressure and temperature
–Boundary of pool

EMUG 2018 Workshop

6
 Heat Structures (HS)
Heat Structure
Temperature Nodes
Heat Structure

1 2 3 4
N
– Heat structure may be
Right
Boundary
inclined
Atmosphere Atmosphere
Surface
(outside) – Partially immersed
Left Right
– May have rectangular,
Left
Boundary Boundary
Boundary
Surface Volume
Volume
(inside)
cylindrical, spherical
Pool
or hemispherical 1-D
Pool geometry

• HS nodalized with N temperature nodes

• Node 1 is at the left boundary surface (or inside), must define it
• Node N is at the right (outside)
• Region between two nodes is called mesh interval (N-1 meshes)

EMUG 2018 Workshop

7
 COR Package Modeling
• MELCOR COR package models core-
specific structures in the core and lower
plenum
– Fuel assemblies
• Fuel rods (and grid spacers), BWR
canisters (channel box)
– Control elements
• PWR rods, BWR blades
– Structural elements
• Core plate
• BWR control-rod guide tubes
• Core shroud/baffle
• Formers
• Vessel lower head
– Including penetrations
– Includes some of the lower vessel
• It does not model boundary structures
– Core barrel, upper vessel, upper internals
– Modeled as Heat Structures

EMUG 2018 Workshop

8
 COR Package Modeling (2)
• Same representation used for
PWR and BWR
– In a BWR, MELCOR calls the
region outside the canisters BWR
(channel boxes) in the core region
the “bypass”
– In a PWR, MELCOR calls the
region outside the core shroud the
“bypass”
– Everything else is called the
“channel”
• In a BWR, “channel” includes the
interior of canisters and the lower
plenum
• Input specifies the CVH
volume representing channel Channel Region
and bypass for each core cell
– Distinction only in core region of Bypass Region
a BWR or outer peripheral core
ring of PWR
– Common to interface several cells
to a single CVH volume

EMUG 2018 Workshop

9
 Cavity (CAV) Package
• Debris geometry
• Mass and energy transport and conservation
– Concrete ablation axis Concrete

– Chemistry
• Debris ejected from vessel attacks concrete Body
– Attack is primarily thermal: surface ablates Points

• Concrete decomposes
• Gases (H2O and CO2) interact with debris
• Oxides (CaO, SiO2, Al2O3, etc.) add to debris
• Top surface communicates with surroundings
– Heat is lost by radiation, convection, or boiling
– Gaseous reaction products pass to atmosphere
• Sustained by decay and chemical heat
– Heat balance determines progression
EMUG 2018 Workshop
10
 *
MCCI : Framework
• MELCOR models based on CORCON-Mod3
– Uses CCM3 routines for phenomenological models
• Geometry, heat transfer, chemistry, concrete ablation
– Obtains boundary condition and source data from other
MELCOR packages rather than user input
• Stand-alone options available (in MELCOR format)
– Interface to VANESA preserved
• VANESA is fission product release model
– Implemented as part of the RN package
– Separate scrubbing model replaced by general SPARC model
• MELCOR executive replaces top coding levels
– Controls input, advancement, output
– Input format consistent with other MELCOR packages
– Allows integrated restart, plot, and fallback capabilities

EMUG 2018 Workshop

11
Packages Interactions w/ RN Package

DCH COR
Package Package

FL HS
Package Package

CVH RN FDI
Package Package Package

EMUG 2018 Workshop

12
RadioNuclide Overview
Fission product
stefan flow
transport & natural
aerosol
deposition processes condensation
steam
diffusion
chemisorption

condensation
vapor
aerosol

impaction
sedimentation
thermophores
is

EMUG 2018 Workshop

13
 RN Package Physics
• Initial RadioNuclide inventories (ORIGEN)
• Release of radionuclides (CORSOR, VANESA)
• Aerosol dynamics (MAEROS)
• Condensation/evaporation (TRAP-MELT2, thermodynamics
routines)
• Decay heat distribution
• ESF models (pool scrubbing, filters, sprays)
• Fission product chemistry
• Chemisorption on surfaces
• Hygroscopic aerosols
• Flashing jet impaction model
• Iodine pool model

EMUG 2018 Workshop

14
 RN: Boundary Conditions
• Obtained from other MELCOR packages
– CVH
• Fluid conditions
• Radionuclide advection between control volumes done using CVH flows
– COR & CAV
• Fuel and debris temperatures
• Provides information regarding bulk debris relocation
• {allows RN to perform relocation of unreleased fission products}
– HS
• Structure surface temperatures
• Wash-off of radionuclides deposited on heat structures is determined
from drainage of water films calculated by this package
• RN package determines decay heat power for current radionuclide
inventories from the Decay heat (DCH) package
– Requires request from both packages

EMUG 2018 Workshop

15
 Initial Radionuclide Inventories
• RN Classes Class Name Element All Member Elements

– species with similar 1

2
Noble Gas
Alkali Metals
Xe
Cs
He, Ne, Ar, Kr, Xe, Rn, H, N
Li, Na, K, Rb, Cs, Fr, Cu
chemical properties. 3 Alkaline Earths Ba Be, Mg, Ca, Sr, Ba, Ra, Es, Fm
4 Halogens I F, Cl, Br, I, At
• Elemental inventories from 5 Chalcogens Te O, S, Se, Te, Po
6 Platinoids Ru Ru, Rh, Pd, Re, Os, Ir, Pt, Au, Ni
tables of ORIGEN 7 Early Transition Mo V, Cr, Fe, Co, Mn, Nb, Mo, TC, Ta, V
calculations 8 Tetravalent Ce Ti, Zr, Hf, Ce, Th, Pa, Np, Pu, C
9 Trivalents La Al, Sc, Y, La, Ac, Pr, Nd, Pm, Gd, Sm, Eu,
– Can be user specified Tb, Dy, Ho, Er, Tm, Yb, Cm, Lu, Am, Bk, Cf
10 Uranium U U
• Spatial distributions 11 More Volatile Main Cd Cd, Hg, Zn, As, Sb, Pb, Tl,
Group
– Fuel in the core 12 Less Volatile Main Sn Ga, Ge, In, Sg, Ag
Group
• Radial & axial profiles 13 Boron B B, Si, P

– Fuel-cladding gap 14
15
Water
Concrete
H2O
–
H2O
-

– Any initial cavity debris, 16 Cesium iodide CsI-

and
– Atmosphere and pool (of Fission product release/transport is governed primarily
any control volume) by thermo-chemical characteristics of species, not their
radioactive properties. Therefore, species with similar
• Fuel FPs are transported with chemical properties are combined.
the fuel until released

EMUG 2018 Workshop

16
 RN Release
• Can occur from
– Fuel-cladding gap exceeding a
failure temperature criterion (or
losing intact geometry)
– Material in the core using the
various CORSOR empirical release
correlations [based on Tfuel]
– During core-concrete interactions
in the reactor cavity using the
VANESA release model
• After release to a control volume,
masses may exist as aerosols and/or
vapors
– Depending on the vapor pressure of
the radionuclide class and the
volume temperature

EMUG 2018 Workshop

17
 RN Release: Test Environment
• Oxidizing (steam) environment
–Cladding oxidizes (exothermic reaction) and holds
bundle together
–Release favors diffusive RN’s & volatile oxides
–Nobles, I, Cs, & Te
• Reducing (hydrogen) environment
–Cladding melts and runs off
–Release favors diffusive RN’s & volatile hydrides
–Nobles, I, Cs, Te, Ba, Ru, and Eu

EMUG 2018 Workshop

18
 RN Release Tests
• Out of Pile
– Parker ORNL 1955-1980 Oxidizing fuel chips 800-1500 K
– SASCHA KfK 1975-1979 Oxidizing fuel pellets 800-1500 K
– Albrecht Chalk R 1975-1979 Oxidizing fuel chips 1700-3000 K
– HBU ORNL 1978 Oxidizing 800-1500 K
– HT ORNL 1980 Oxidizing 1600-1900 K
– HI ORNL 1981-1985 6 Oxidizing 1675-2250 K
– MCE-1-8 AECL 1984-1991 5 Air, 3 Air&H2 1973-1350 K
– VI 1-4 ORNL 1989 3 Oxidizing, 1 Reducing 2000-2700 K
– Vercors 1-6 IRSN 1989-1994 1 Oxidizing, 1 Reducing, 4 Both 2130-2620 K
– VI 5-7 ORNL 1991-1992 1 Oxidizing, 1 Reducing, 1 Both 2000-2700 K
– HT 1,3 IRSN 1996-2001 2 Reducing 2900 K-melting
– RT 1,3-5 IRSN 1998-1999 2 Oxidizing, 1 Reducing, 1 both 2600 K-melting
• In Pile
– PBF ST,1 INEL 1986-1992 2Oxidizing 2000-2400 K
– PBF 2,4 INEL 1986-1992 2Reducing 2000-2400 K
– ST 1& 2 SNLA 1988 2Reducing 2400 K
– PHEBUS FPT0,1 1999-2001 2Oxidizing fuel melting

EMUG 2018 Workshop

19
 MELCOR RN Release Models
• Four basic release models, with options
–CORSOR
– k  A expB T  for T  Ti where k is the release rate

–CORSOR-M,
– k  ko exp- Q/RT 
–CORSOR-Booth*,
• Limited by mass transport in fuel
• D0 exp(-Q´/RT)
• Also limited by mass transfer through gas phase
• Options for high- or low-burn-up fuel

EMUG 2018 Workshop

20
 MELCOR RN Release Models
• Modified ORNL Booth
– Same equation set
Vapor Pressure
• Known Limitations
Cs, CsI, Cs2Mo4, Mo
– Cs2MoO4 vapor pressure 10
10

– Modified scaling factors

• Improved results 1

– FPT-1 P Cs  Ti

• Cs, I, Mo atm

P CsI  Ti
– ORNL VI Tests atm
0.1

• VI 2 (oxidizing) P CsMo Ti

• VI 3 (oxidizing) atm
0.01
• VI 5 (reducing) P M o Ti

– Vercors 4 (oxidizing) atm

1 10
3
• Cs, I, Mo

0.00011 10 4
1000 1500 2000 2500 3000 3500

1.02510
3 Ti 3
3.510
K

EMUG 2018 Workshop

21
 Aerosol Component/Class Mapping
• MELCOR uses CLASS grouping to represent FP species
– Common physical/chemical characteristics (e.g., volatility)
• MAEROS recognizes and operates on the aerosol portions
of these FP (radioactive and non-radioactive) classes
– Component ≡ a particular type of aerosol material
• MELCOR allows the user to define aerosol Components
which are groupings of one or more fission product Classes
(the mapping between RN classes and MAEROS aerosol
components)
– These components are allowed to have distinct size
distributions
• The size distributions are characterized by the amount of aerosol
mass within a range of aerosol particle sizes
• Size ranges are called Sections

EMUG 2018 Workshop

22
 Aerosols (Mass Distributions)
• Sections (size bins)
– Discretized representation of (mass) concentration
– Typically 10 sections, uniformly spaced in log of particle
(volume-equivalent) diameter
– Limited to section boundary diameters varying geometrically
(i.e. di >= 2(1/3) di-1) (use up to 9 sections per decade in
particle diameter.)

kg/m3

Particle Diameter

EMUG 2018 Workshop

23
 Aerosols: MAEROS
• MAEROS sectional model of Fred Gelbard Aerosol size distribution
– 10 sections [.1 - 50 mm] evolves in time, depending
– Condensed FP vapor sourced into smallest on sources, agglomeration
section and removal processes
• Particles grow in size

section mass
– Agglomeration
– Water condensation
• Particle fallout by gravitational settling
• Particle deposition processes
– Thermophoresis
– Diffusiophoresis 0.1 1 10 100

– Brownian motion aerosol diameter [mm]

• PWR Ag aerosol release from control rods

modeled

section mass
– Significant aerosol mass
– Affects agglomeration, growth and
fallout
• Cs chemisorption in RCS modeled
– Iodine from CsI revolatilizes when
reheated 0.1 1 10 100
aerosol diameter [mm]

EMUG 2018 Workshop

24
Aerosols: Resuspension and Sources
• New resuspension incorporated into MELCOR
– Particle deposits maintain original bin size
– Characteristic diameter of each bin is compared to a critical
diameter lofted by local velocity
• Inter-volume phenomena
– Flow through by gravitational settling/fall-out from cell above.
– Flow through by advection.
• Source models
– Release of radionuclides from fuel and debris
– Aerosol creation from molten debris/concrete interactions
– User defined sources

EMUG 2018 Workshop

25
 Condensation/evaporation
• FPs & water can condense/evaporate onto/from
– Aerosols; heat structure surfaces; and/or water pools
• Aerosol water ≡ fog (CVH pkg)
– Change in fog mass
• Determined by thermodynamics
• Distributed over aerosol sections
• Water condensation/evaporation for heat structure and water pool
surfaces
– Mason equation
• Calculation of FP vapor condensation/evaporation
– TRAP-MELT2 rate equations based on
• Surface areas, mass transfer coefficients, atmosphere concentration, and
the saturation concentrations corresponding to the temperatures of the
surfaces

EMUG 2018 Workshop

26
 Decay Heat Distribution (CV)
• All decay heat released by radionuclides in a
control volume pool is assumed to be absorbed by
that pool
• Decay heat released by radionuclides in the control
volume atmosphere and from those deposited on
the various heat structure surfaces can be
apportioned according to user specifications among
the
–Volume atmosphere
–Surfaces of heat structures in that volume
–Pool surface (if a pool is present)

EMUG 2018 Workshop

27
 Decay Heat Distribution (FP)
• Simulation of decay radiation transmitted through
flow paths
–Specify the fraction going to the atmosphere and
surfaces of other volumes
• Decay heat generated as
– g-radiation (~½) & b-radiation (~½)
• Deposition of decay heat in a volume atmosphere
results primarily from absorption of b-radiation

EMUG 2018 Workshop

28
 Pool Scrubbing
• Adapted from SPARC-90 code
–Steam condensation at the pool entrance
–Aerosol deposition by Brownian diffusion, gravitational
setting, and inertial impaction
–Subject also to evaporative forces, for the rising bubble
• Aerosols and iodine vapor are removed
–Removal of other vapor species can be treated identically
to iodine vapor
• Model treats
–Regular flow paths that vent through pools,
–Gases generated by core-concrete interactions flowing
through overlying pools
• Decontamination factor calculated

EMUG 2018 Workshop

29
 Filter Trapping (1)
• Some fraction of the transported RN materials may be
removed by the action of filters in the flow paths
– Calculated by CVH: aerosols & vapors transported through
flow paths with the bulk fluid flow of pool and/or atmosphere
• Flow path can contain more than one filter
– Single filter can remove either, but not both, aerosol or fission
product vapor
• Filter efficiency, user-specified DFs per bin size or vapor
– By default, a DF (= 1) is applied to all RN classes except water
• User-specified maximum loading
– Loading reached, no further RN materials are removed (i.e.,
DF = 1)

EMUG 2018 Workshop

30
 Filter Trapping (2)
• Effect of filter loading on flow resistance of the associated
flow path modeled through user input
– Requires construction of a CF to link the laminar loss
coefficient for the flow path to the filter loading (see FL
User’s Guide)
– Filter loading may be obtained from one or more of the CF
arguments (see RN User’s Guide)
• Decay heat energy from radionuclides deposited on filters is
given to the downstream control volume according to the
vapor flow direction

EMUG 2018 Workshop

31
 Spray Scrubbing (1)
• Model, same as in HECTR code
• Calculates the T-H behavior associated with spray
systems
–Coupled to the RN pkg for the calculation of aerosol
washout and atmosphere decontamination by the
sprays
–SPR-RN interface may produce nonphysical results
if the SPR pkg is required to make multiple passes
through the same CV on a given timestep
• Avoid by limiting the spray activity to a single drop
size in each spray train
• Restriction: only 1 spray train should pass through
each CV

EMUG 2018 Workshop

32
 Spray Scrubbing (2)
• Particulate removal by sprays is a mechanistic treatment of
removal processes
– Modeled as a first-order rate process
– Different rate constants are used for vapors and aerosols
because the removal processes are different
• Vapor removal by adsorption is calculated using a stagnant film
model for the adsorption efficiency
– The vapor removal is calculated as an injection spray removal rate;
no recirculation of spray liquid is considered
• Limit on iodine adsorption by spray droplets (user specified)
using a partition coefficient (equilibrium ratio of the iodine
density in the liquid to its density in the gas)
– LWR accident conditions, iodine may exist as a vapor over
relatively long time periods in containment pressure/
temperature conditions. Other materials have low vapor
pressures at accident conditions that preclude their extended
existence as vapors; that is, they condense to aerosol forms.

EMUG 2018 Workshop

33
 Spray Scrubbing (3)
• Aerosol removal also included
– Inertial impaction and interception
• Primary removal mechanisms as long as droplet radii are in the 10
– 100 micron size range
– Diffusiophoresis and diffusion effects
• 1–10 mm diffusiophoresis becomes an important contributor
• Diffusion only becomes important for droplets with radii , 0.1 mm
– Rate constant are a function of collection efficiency
• Viscous and well as potential flow around a sphere are considered
for both impaction and interception
• Collection efficiencies for different processes are combined
• No droplet interactions are considered

EMUG 2018 Workshop

34
 T-H Modeling: Spray
• Spray droplets are assumed spherical, isothermal, and falling through
containment at their terminal velocity (w/o horizontal velocity
component)
• Droplet heatup & cooldown in a steam environment
– Modeled using a correlation for forced convection heat transfer
coefficients
• Evaporation/condensation are modeled
– using a correlation for mass transfer coefficients
• Final droplet mass (mdroplet) & temp (Tdrop) obtained
– By use of a std integrator to integrate transfer rates over the fall
height of the spray droplet
• Heat and mass transfer to a droplet computed via
– Comparison of mdroplet & Tdrop at bottom of compartment to the inlet
conditions
• Total heat & mass transfer rates calculated by multiplying rates for
single droplet by the number of droplets of that size and summing over
droplet sizes

EMUG 2018 Workshop

35
 Fission Product Chemistry
• Chemistry effects can be simulated in MELCOR through the
use of class reaction and class transfer processes
– class reaction process uses a first-order reaction equation with
forward and reverse paths
– class transfer process
• can change material class or location of a radionuclide mass
(caution: use feature carefully)
• can be used to simulate fast chemical reactions
• With these two processes (reversible & irreversible
reactions) phenomena including adsorption, chemisorption,
& chemical reactions can be simulated
• Only FP vapors are considered in the chemistry models
– Only fission product vapors can react with surfaces and only
vapors and ions produced from them can undergo chemical
transformations in the pool

EMUG 2018 Workshop

36
 FP Chemistry: Example
Consider the adsorption of CsI on a surface with a known deposition velocity which
is then transformed immediately to CsOH plus HI when adsorbed water is present.
After the transformation, the revaporization of CsOH is delayed until the surface
temperature reaches T1 while the HI revaporization is simply mass transfer limited.
In this case, CsI, CsOH, and HI are separate material classes.

CsI gaseous   CsI adsorbed 

 H 2O
CsOH gaseous   CsOH adsorbed 

 depends on T1 

HI gaseous   HI solid 

EMUG 2018 Workshop

37
 Chemisorption
• Forms chemical bond with surface
• Currently can only be done on materials in the MELCOR
database & does not function for user-defined materials
Chemisorption Transport
CsOH Stainless steel
CsOH Inconel*
CsI Stainless steel
CsI Inconel*
I2 Stainless steel
HI Stainless steel
Te Stainless steel
Te Inconel*
*not in database

EMUG 2018 Workshop

38
 Hygroscopic Models
• Mason Equation
• Model describes diffusion of water vapor molecules to the
surface of an aerosol particle, and the conduction of the
latent heat of vaporization away from the particle and to the
bulk atmosphere
– Solubility effect: hygroscopic
– Kelvin effect: surface tension
– Free molecule effects: noncontinuum
• Aerosol particles that are soluble in water exhibit
hygroscopic properties such that they can absorb moisture
from an atmosphere with relative humidity less than 100%
– Effect leads to particle size growth as water vapor condenses
onto the soluble particle
– Consequence:
• Increase in gravitational settling rate
• Subsequent depletion of airborne FP aerosols

EMUG 2018 Workshop

39
 Jet Impaction
• Impingement of a flashing water jet on a plate
–Water jet enters volume at lower pressure than the inlet
pressure, flashes, and then expands according to regular
jet expansion formulation until deflected by a plate
–Droplets larger than a cutoff diameter hit the plate and are
removed from the jet (becoming part of water film on HS
& drain according to film model)
–Droplet size distribution
• Determined by flashing model (FL pkg) and is sourced into RN
pkg
• No flash, no aerosol

EMUG 2018 Workshop

40
 Iodine Control
• Amount of iodine released is reduced by controlling
atmospheric iodine concentration
–Iodine can be confined in aqueous forms in pools and
sumps, but
• radioactive iodine may not remain trapped in water
because of its relatively dynamic chemical behavior
– There are important processes that can regenerate gaseous
forms of iodine that release into the containment atmosphere
from the water, thus becoming available for release to the
environment for long times after the accident initiation
– Chemical and radiolytic oxidation of iodine in the pool can
lead to the formation of a variety of chemical forms of iodine,
such as elemental iodine and volatile organic iodides
• Formation of volatile forms of iodine in solution
depends on
– Dose rate to aqueous phase; temperature; pH; and total iodine
concentration

EMUG 2018 Workshop

41
 Iodine Transformations Considered
• Seven sub-models
• Acid generation and
transport models (walls
& pools)
• Pool pH calculation
• Silver iodine model
2 • Iodine aqueous pool
chemistry (276 equation
1 set)
• Pool atmosphere mass
transfer
• Iodine atmospheric
radiolysis and
recombination
3 • Iodine atmosphere wall
4 deposition

EMUG 2018 Workshop

42