NISTIR 7364

Database Tools for Modeling 

Emissions and Control of Air 

Pollutants from Consumer 

Products, Cooking, and 

Combustion

Cynthia Howard-Reed

Brian Polidoro
 

Database Tools for Modeling 

Emissions and Control of Air 

Pollutants from Consumer 

Products, Cooking, and 

Combustion

Cynthia Howard-Reed 

Building and Fire Research Laboratory, NIST 

Brian Polidoro 

Building and Fire Research Laboratory, NIST 

U.S. Department of Commerce 

Carlos M. Gutierrez, Secretary 

Technology Administration 

Robert Cresanti, Undersecretary of Commerce for Technology 

National Institute of Standards and Technology 

William A. Jeffrey, Director 

November 2006

NISTIR 7364
ABSTRACT 

In order to estimate building contaminant concentrations and associated occupant exposures, 

indoor air quality (IAQ) model users require data related to source strengths and other 

contaminant transport mechanisms (e.g. sinks, filters). Much of this information exists in the 

literature; however, it is not readily accessible, thereby requiring users to expend significant 

efforts in searching for this information. To support the modeling process, the National Institute 

of Standards and Technology (NIST) has created a series of model input databases for use in its 

multizone IAQ and ventilation model CONTAM. As part of this effort, a standard data entry 

format was developed, as well as a computer program to search the database for specific records 

and build a CONTAM input library. These databases and tools can serve as a basis for building 

an extensive collection of model input parameters, assessing the quality and completeness of 

existing data sets, and allow for identification of significant data gaps. 

Keywords: database, indoor air quality, transport model, volatile organic compounds, particles, 

exposure 
Table of Contents 

1. INTRODUCTION .......................................................................................................................1 

2. INDOOR AIR QUALITY MODELS AND INPUTS .................................................................2 

3. MODEL INPUT DATA SOURCES ...........................................................................................7 

4. MODEL INPUT DATABASE STRUCTURES AND TOOLS ..................................................9 

5. DISCUSSION............................................................................................................................16 

6. ACKNOWLEDGEMENTS.......................................................................................................18 

7. DISCLAIMER ...........................................................................................................................18 

8. REFERENCES. .........................................................................................................................19 

APPENDICES 

A. Data Entry Forms......................................................................................................................25 

B. ContamLink 2.4 User Manual ................................................................................48 

INTRODUCTION 

Indoor air quality (IAQ) models can be used to predict airflows, contaminant concentrations and 

building occupant exposures in a given indoor environment. In order to generate such results, 

however, IAQ models require the user to provide a wide range of input data including envelope 

leakage information, weather, ventilation system characteristics, contaminant source emission 

rates, sink removal rates, occupant schedules, and air cleaner removal rates. Many of the required 

model inputs are available in the literature; however, these data have generally not been 

compiled in a readily accessible source, thereby requiring users to search for model input 

parameters. To facilitate the IAQ modeling process and allow for assessment of the data quality 

and completeness, there is a need for well-designed databases of measured contaminant 

modeling data. 

In response to this need, the National Institute of Standards and Technology (NIST) created 

several searchable databases for model input data. These databases may be used to organize 

volatile organic compound (VOC) emission rates from building materials, particle and inorganic 

gas emission rates from combustion sources, particle deposition rates, VOC sorption rates, and 

particle filtration. This process involved collecting representative data from the literature, 

designing a database format to standardize data entry, entering example data into the database, 

validating data entry, and developing a computer program to search the database for specific 

records to use in the multizone IAQ and ventilation model, CONTAM. The resulting databases 

and tools provide standardization that is needed for consistency and reliability in reporting, 

accessing, and manipulating IAQ model input data. 

1 
INDOOR AIR QUALITY MODELS AND INPUTS 

Although the model input databases compiled as part of this effort can be used in any IAQ 

model, this report will focus on their use in NIST’s airflow and pollutant transport model 

CONTAM (Walton and Dols, 2005). The CONTAM software and manual may be downloaded 

from the following website: http://www.bfrl.nist.gov/IAQanalysis/. In summary, CONTAM is a 

multizone model that treats a building as a system of interconnected, well-mixed zones between 

which airflow and pollutants are transported. This macroscopic approach is implemented by 

constructing a network of elements describing the flow paths (heating, ventilating, and air 

conditioning (HVAC) ducts, doors, windows, cracks, etc.) between the zones of a building. The 

network nodes represent the zones and duct segments, which are modeled with a single pressure, 

temperature, and pollutant concentration. CONTAM has a graphical interface that allows users to 

draw a building’s zones and add airflow paths, ventilation systems, contaminant sources and 

sinks, and building occupants. 

The program first calculates airflow rates between zones by solving for the pressure in each zone 

based on a mass balance of air. After calculating the airflow between zones and ambient, zonal 

pollutant concentrations are calculated by applying mass balance equations to the zones, which 

may also contain pollutant sources or sinks. The following mass balance may be used to describe 

contaminant transport in a multizone building: 

( ) i,i,

j j

i,i, i,j,i i,j ,ij,i,j,

i, GCkmC1FCFCR

dt

dm

β α

β

αα α αα βα

α −−= ∑∑ ∑ +η−+ + (1) 

where: 

 mα,i = mass of contaminant α in zone i (kg) 

 Rα,i = removal coefficient for contaminant α in zone i (kg/s) 

 Cα,i = concentration mass fraction of contaminant α in zone i (kg/kg) 

 Fi,j = rate of airflow from zone i to zone j (kg/s) 

 Fj,i = rate of airflow from zone j to zone i (kg/s) 

ηα,j,i = filter efficiency in the path from zone j to zone i (kg/kg) 

 Cα,j = concentration mass fraction of contaminant α in zone j (kg/kg) 

 mi = mass of air in zone i (kg) 

 kα,β = kinetic reaction coefficient in zone i between species α and β (1/s) 

 Cβ,i = concentration mass fraction of contaminant β in zone i (kg/kg) 

 Gα,i = generation rate of contaminant α in zone i (kg/kg) 

The user must supply data regarding airflow paths, contaminant source emission rates, 

contaminant removal rates, chemical reaction coefficients, filter efficiencies and occupant 

schedules. In a previous effort, NIST created a library of airflow leakage elements, wind pressure 

coefficients, and ventilation system schedules to aid the user when adding airflow path 

information (Persily and Ivy, 2001). The project described in this report focused on creating 

databases for the model input parameters needed to model exposure to air pollutants from 

consumer products, cooking, and combustion. These parameters include source emission rates 

(Gα,i), contaminant sinks and deposition rates (Rα,i ), and particle filter efficiencies (ηα,j,i). 

2 
Source Models 

The generation rate of indoor contaminants has been described with several different source 

models. A summary of the source models currently available in CONTAM is provided in Table 

1. It should be noted that there are additional source models available in the literature. 

Table 1. Source models used to characterize source emission rates in CONTAM.

Source Model Name Equation Example Uses 

Constant Coefficient Model G 

G = generation rate 

Dry VOC sources (e.g., 

linoleum) 

Particles from cooking 

Pressure Driven Model G*ΔPP

n

ΔP = pressure difference 

n = pressure exponent 

Contaminated soil gas 

Cutoff Concentration Model 

⎟

⎟

⎠

⎞

⎜

⎜

⎝

⎛ − Ccut

C 1G

C = current concentration 

Ccut = cutoff concentration at which 

emission ceases 

Sources within a confined space 

(e.g., mothballs in a closet) 

Decaying Source Model G0exp(-t/tc) 

G0 = initial generation rate 

t = time since start of emission 

tc = time constant 

Wet VOC sources (e.g., paint) 

Boundary Layer Diffusion 

Model ⎟

⎠

⎞ ⎜

⎝

⎛ − k

C ChdA s i

h = film mass transfer coefficient over sink 

d = film density of air 

A = surface area 

Ci = concentration in air 

Cs = concentration at surface of material 

k = partition coefficient 

Reversible sinks 

Burst Source Model Fixed mass added to zone instantaneously Occupant activities (e.g., 

spraying an air freshener, 

changing kitty litter) 

Power Law Model If t < tp, then 

b attS p− )( =

Else 

b attS − )( =

t = time 

a, b, tp = empirical coefficients 

“Dry” materials emissions 

Peak Model 

⎪

⎪

⎪

⎭

⎪

⎪

⎪

⎬

⎫

⎪

⎪

⎪

⎩

⎪

⎪

⎪

⎨

⎧

⎥

⎥

⎥

⎥

⎥

⎦

⎤

⎢

⎢

⎢

⎢

⎢

⎣

⎡

⎟

⎟

⎠

⎞

⎜

⎜

⎝

⎛

−=

2

ln

5.0exp)( b

t

t

atS p

a, b, tp = empirical coefficients 

“Wet” material emissions 

3 
As shown in Table 1, each model is applicable to specific types of sources. For example, an 

exponential model better describes VOC emissions from a “wet” source than a constant source 

model. The modeler chooses which source model to apply; however, use of the different source 

models requires knowledge of the specific coefficients. The constant coefficient, first-order 

decay, power law and peak models in Table 1 are empirically-based. Thus, the user must find 

the model coefficients that are linked to specific experimental tests. The mass transfer approach 

(boundary layer diffusion model) is physically-based, thus its coefficients may be estimated 

using contaminant and material properties. However, the mass transfer values must still be 

determined. 

To determine the empirical model coefficients or to validate the physical models, source 

emission rates have been experimentally measured for hundreds of consumer products and 

combustion appliances. Source emissions testing is typically completed in controlled laboratory 

chambers ranging in size from approximately 3.5 x 10-5 m3

 (field and laboratory emission cells) 

to larger than 10 m3

 (room size) (ASTM 1997). While there are currently no standard emission 

rate test methods for consumer products and combustion appliances, researchers typically report 

test facility characteristics, test conditions, and product/appliance characteristics. 

Deposition Models 

Deposition is a significant removal mechanism of particles indoors and needs to be accounted for 

when modeling particle transport. The rate of deposition depends on several factors including 

characteristics of the particle (e.g., size and charge), room surfaces, and airflow (Nazaroff et al. 

1993). Deposition of particles is typically reported in the literature in terms of a deposition 

velocity (υd) or a deposition rate (kd). The deposition velocity sink model is: 

)( tCtAtR )()( α = υ ρ airsd α (2) 

where: 

Rα(t) = removal rate at time t (kg/s) 

υd = deposition velocity (m/s) 

As = deposition surface area (m2) 

ρair(t) = density of air in the source zone at time t (kg/m3

) 

Cα(t) = concentration of contaminant α at time t (kg/kg) 

To use this model, the user must enter the deposition surface area and particle deposition 

velocity. Often it is difficult to estimate the deposition surface area, so it is lumped into a 

parameter known as the deposition rate, which is defined as: 

z

sd

d V

A k υ

= (3) 

where: 

Vz = zone volume (m3) 

Using the deposition rate parameter, the deposition sink model may be expressed as: 

4 
)( tCtVktR )()( α = ρ airzd α (4) 

To use the deposition rate model, the user must provide a deposition rate. 

Researchers have measured deposition velocities and deposition rates in several different test 

facilities, ranging from small chambers to real buildings. Common test parameters reported by 

researchers include the types of furnishings, air mixing mechanisms, air change rate, and particle 

characteristics. As with source emission rates, no standard test method yet exists for measuring 

particle deposition rates. 

Sorption Model 

Indoor contaminant calculations use sorption models to account for the transfer of gaseous 

contaminants between the air phase and the material phase. The rate of adsorption depends on 

characteristics of the adsorbent material, the adsorbing chemical, and the boundary layer that 

separates them. There are several sorption models available: CONTAM currently uses the 

boundary layer diffusion controlled (BLDC) reversible sink/source model. The BLDC model has 

been documented elsewhere (Axley, 1990). In summary, it accounts for the adsorption and 

desorption transport of chemicals between room air and room materials. The equation used to 

describe this transport is: 

⎟

⎠

⎞ ⎜

⎝

⎛ −= k

C ChdAS s

i (5) 

where: 

h = film mass transfer coefficient over the sink (m/s) 

d = film density of air (kg/m3) 

A = surface area of the adsorbent (m2) 

Ci = concentration in air (kg/kg) 

Cs = concentration in the adsorbent (kg/kg) 

k = Henry adsorption constant or the partition coefficient (kg/kg) 

To use the BLDC model in CONTAM, the user must provide the film mass transfer coefficient, 

film density of air, surface mass of adsorbent, and the partition coefficient. The first three 

parameters are based on physical constants and characteristics of the zone being modeled. The 

partition coefficient is chemical/material specific with limited values available for several indoor 

air chemical species and building materials in the literature (Zhang et al 2001). 

Filter Model 

CONTAM currently includes three filter models: constant removal efficiency, simple particle, 

and simple gaseous. The constant removal efficiency model describes the loss of particles or 

gases through a filter. As presented in Equation 6, the removal of contaminants through a filter is 

written as: 

5 
Filter removal = ( ) 1−η CF (6) 

where: 

F = airflow rate through the filter (kg/s) 

η = single pass removal efficiency of filter (-) 

C = contaminant removed by filter (kg/kg) 

CONTAM also includes a particle filter element that allows the user to enter filter removal 

efficiencies as a function of particle size to create a filter performance curve for a single filter. 

The user is required to enter the filter data from which CONTAM generates a curve using a 

cubic spline fit. Another option is to choose an existing filter performance curve based on 

ASHRAE 52.2’s Minimum Efficiency Reporting Value (MERV) System (ASHRAE 1999). 

Based on this evaluation system, Kowalski and Bahnfleth (2002) created several sets of filter 

performance curves using MERV test results. These filter performance curves have already been 

compiled into a CONTAM library. Users can therefore either enter their own filter curve data or 

choose an existing MERV curve to use in a CONTAM simulation. 

CONTAM also has an air cleaner element for gaseous contaminants, which uses a removal 

efficiency for a given contaminant loading. As the mass of contaminant sorbed to the air cleaner 

media increases, the associated contaminant removal efficiency decreases. Again, CONTAM can 

generate a filter curve using a cubic spline fit based on user provided data. It is also possible to 

set a breakthrough efficiency for each contaminant. 

6 
MODEL INPUT DATA SOURCES 

The model input data considered in this report include emission rates from consumer products, 

building materials, cooking and combustion appliances, particle deposition rates, chemical 

sorption rates, and particle filter removal. For each category, several key references were 

identified from which to build the database structures. It should be noted that the data sources 

identified for this project are not intended to be all-inclusive, but, rather, representative of the 

literature and to serve as examples for populating the databases in the future. A user may append 

any of the model input databases with his or her own data. 

VOC Emission Rates from Consumer Products and Building Materials 

There is a great deal of VOC source emission rate data available in the literature and other 

sources. Although there is not a comprehensive database available, there are several abridged 

versions that can provide the foundation for a sound database design. Based on completeness and 

accessibility, the NRC material emission database (Zhang et al. 1999) and the U.S. 

Environmental Protection Agency (EPA) database (U.S. EPA 1999) served as the sources of 

emission rate data for this project. 

The NRC database is a material emission database assembled by the National Research Council 

of Canada (NRC). The NRC database was developed in Access and includes VOC emission rate 

data from tests conducted in their Indoor Environment Program laboratory chambers. This 

database currently contains over 2300 emission rates representing 152 contaminants and 69 

different materials. Each record includes approximately 80 data fields including product 

manufacturer information, emissions testing conditions, chemical information, emission factors, 

emission profiles, and comments. NRC has also provided access to this emission rate data 

through its indoor air quality model IA-QUEST (http://irc.nrc-cnrc.gc.ca/ie/iaq/iaquest_e.html) 

(Sander et al. 2005). Since the NRC database represents a collection of data from a single testing 

facility and it is being managed by NRC, it was considered complete and exists on its own. 

However, its design was used to build a second database of emission rates from the published 

literature described below. 

In order to provide a user interactive database of VOC source emission rates, a second VOC 

source database was created to add emission rates from the published literature and other 

sources. A collection of peer-reviewed source emission rates was compiled by the Indoor 

Environment Management Branch of the U.S. Environmental Protection Agency (EPA) (U.S. 

EPA 1999). The data were stored in an Excel spreadsheet that included approximately 8500 

emission rate records from 72 references reviewed through May 1999. Records represent 78 

types of materials in 17 source categories. Each record contains about 70 data fields including 

information regarding emission source classification, emission testing conditions, chemical 

information and analytical methods, emission factors, emission modeling parameters if available, 

and comments. For this NIST project, only the data published in first degree references (e.g., 

peer-reviewed journal articles as opposed to conference proceedings) were used. This data subset 

resulted in over 800 VOC emission rates from 16 references (Brown 1999a; Brown 1999b; Kelly 

et al. 1999; Lundgren et al. 1999; Horn et al., 1998; Chang et al. 1997; Van der Wal et al. 1997; 

Schaeffer et al. 1996; Nagda et al., 1995; Chang and Guo 1994; Hodgson et al. 1993; Chang and 

Guo 1992; Hawkins et al. 1992; Colombo et al. 1990; Schlitt and Knoppel 1989; Wallace et al.

1987). 

7 
Cooking and Combustion Appliance Emission Rates 

Unlike VOC emission rates, there is not an existing database of combustion appliance emission 

rates. Thus, a literature review was conducted to identify research papers with combustion 

related emission rates. As a result of this search, data from 21 references are included 

representing emissions from gas range tops (He et al. 2004; Wallace et al. 2004; Borazzo et al. 

1987; Moschandreas et al. 1987; Billick et al. 1984; Caceres et al. 1983; Traynor et al. 1982; 

Yamanaka et al. 1979), gas ovens (He et al. 2004; Borazzo et al. 1987; Traynor et al. 1982), gas 

space heaters (Apte and Traynor 1986; Billick 1985; Traynor et al. 1985; Billick et al. 1984; 

Caceres et al. 1983; Girman et al. 1982; Yamanaka et al. 1979), kerosene space heaters (Tamura 

1987; Traynor et al. 1987a; Apte and Traynor 1986; Porter 1984; Caceres et al. 1983; Girman et 

al. 1982; Yamanaka et al. 1979), wood stoves (McDonald et al. 2000; Nabinger et al. 1995; 

McCrillis and Burnet 1990; Traynor et al. 1987b; Knight et al. 1986), wood-burning fireplaces 

(McDonald et al. 2000), and candles (Fine et al. 1999). 

Particle Deposition Rates 

Although not compiled in a database, a literature review of particle deposition rates was recently 

published by Lai (2002). This review included 15 key indoor particle deposition references (Lai 

et al. 2002; Thatcher et al. 2002; Abadie et al. 2001; Cheng 1997; Fogh et al. 1997; Nomura et 

al. 1997; Morawska and Jamriska 1996; Byrne et al. 1995; Xu et al. 1994; Chen et al. 1992; Van 

Dingenen et al. 1989; Okuyama et al. 1986; Offermann et al. 1985; Crump et al. 1983; Harrison 

1979). Lai’s review includes graphs of deposition rate as a function of particle size as well as 

information regarding the experimental test conditions including test chamber dimensions, 

mixing mechanism, chamber type, and chamber surface textures. The published results from 

other deposition studies that have been completed at NIST (Howard-Reed et al. 2003; Emmerich 

and Nabinger 2001) and Lawrence Berkeley Laboratory (Thatcher and Layton 1995) are also 

included in the deposition data set. 

Partition Coefficients 

Another literature review was recently completed to compile data related to material sinks 

(Zhang 2001). In this review, several sink model inputs are provided including partition 

coefficients that are used in CONTAM’s BLDC model. These partition coefficients are primarily 

from a single reference (Bodalal 1999) that was used to build a partition coefficient model input 

database. Of all the model input databases constructed for this project, this one has the least 

amount of available data, indicating an important research need. 

Particle Filter Removal Efficiencies 

As discussed earlier, Kowalski and Bahnfleth (2002) have created a series of filtration 

performance curves based on ASHRAE 52.2’s Minimum Efficiency Reporting Value (MERV) 

System. These curves have recently been compiled in a CONTAM library and do not require a 

separate database. 

8 
MODEL INPUT DATABASE STRUCTURES AND TOOLS 

The primary function of a database is to store a collection of information in a readily accessible 

format. A well-designed database should also allow for the assessment of data quality, trends in 

the observations, and data gaps. For this project, Access, a relational database management 

system (RDBMS), is used to create multiple searchable database structures for the compilation of 

IAQ model input data. The databases for this project are designed to expedite data entry by using 

tables of data fields that are linked by one-to-many relationships. To further aid data entry, forms 

were created to add data to the database tables. In most cases, the database fields for each type of 

model input are based on parameters reported in the published literature. To date, each model 

input database includes example entries from key references. The standard data format for the 

database also allows users to populate the databases with their own input data to build a model 

input library for CONTAM. Since a particle filtration database already exists in CONTAM, a 

separate database structure is not needed. 

VOC Source Emission Rate Database 

The format of the VOC source emission rate database is based on fields from both the NRC and 

EPA databases as well as parameters from several emission testing guides (ASTM 1997, 2001; 

European Guidelines 1991; and Matthews 1987). A summary of the test conditions 

recommended in these guides is provided in Table 2. 

The resulting standard format includes the following nine tables: emission rate category 

(CATEGORY), type of material within category (TYPE), literature reference (REFERENCE), 

material properties (MATERIAL), contaminant properties (PROPERTY), environmental test 

conditions (TESTCOND), material test conditions (ETEST), source model equation 

(EQUATION), contaminant emission rate factors (CONTAMINANT). Each table contains 

information specific to that entity that is given in Figure 1. For example, the equation table 

provides a description of the equation, the equation itself, the number of required coefficients, 

and the corresponding source model type in CONTAM. The tables are linked to one another 

using a “one-to-many” relationship system (see Figure 1). For example, a single emission rate 

test can yield results for many different contaminants and a single reference can provide results 

for several different tests, etc. 

9 
Table 2. Summary of source emission rate testing conditions guidelines. 

Parameter ASTM Full-Scale 

Chambersa

ASTM Small-Scale 

Chambersb

European 

Guidelinec

Matthewsd

Small-scale 

chamber volume 

not applicable < 5 m3 ≤ 1 m3 ≤ 1 m3

Large-scale 

chamber volume 

room size not applicable > 10 m3 > 15 m3

Acceptable mixing 

criteria 

tracer decay test, 

compare measured 

decay to theoretical 

decay curve 

tracer decay test w/ 

mixing level > 80 % 

tracer decay test, 

compare measured 

decay to theoretical 

decay curve 

difference between 

concentration 

measurements in 

several locations 

should be within 

normal uncertainty 

Clean air 

generation system 

inlet conc. < 2 μg/m3

for single VOC, 

< 10 μg/m3 ΣVOCs 

inlet conc. < 2 μg/m3

for single VOC, 

< 10 μg/m3 ΣVOCs 

filtered/treated inlet 

air 

not specified 

Surface air velocity mean: 0 to 0.25 m/s typical indoor values > 0.1 m/s 0.2 to 0.4 m/s 

Turbulence kinetic 

energy 

0 – 0.01 (m/s)2 not specified not specified not specified 

Temperature 23 °C ± 0.5 °C not specified 23 °C ± 0.5 °C 23 °C ± 0.5 °C (std) 

18 °C to 35 °C (typ) 

Relative humidity 50 % ± 5 % RH not specified 45 % ± 5 % RH 50 % ± 5 % RH (std) 

20 % to 80 % (typ) 

Total air change 

rate 

0.5 h-1 not specified 0.5 h-1 and/or 1.0 h-1 not specified 

Chamber pressure 0 Pa to 250 Pa above 

ambient 

not specified not specified not specified 

Product 

preparation 

preconditioning for 

48 h 

seal product edges, 

use realistic 

substrates for liquid 

applications, 

preconditioning of 

product 

seal product edges, 

use realistic 

substrates for liquid 

applications, 

preconditioning of 

product 

size < 25 % of the 

transverse area of 

small-scale chamber, 

product edges 

coated, product 

preconditioning 

Product history 

record of product 

age, storage 

conditions, handling, 

transport 

record of product 

age, treatment, 

storage conditions, 

handling, transport 

record of product 

age, treatment, 

storage conditions, 

handling, transport 

record of 

conditioning period 

Miscellaneous chamber background 

samples, duplicate 

samples (no fewer 

than 15 % of 

samples), routine 

calibrations 

chamber background 

samples, routine 

calibration, internal 

standard, duplicate 

samples 

chamber background 

samples, internal 

standard, duplicate 

samples, routine 

maintenance/ 

calibrations 

blanks collected in 

chamber, total mass 

recover tests 

a: ASTM 1997 

b: ASTM 2001 

c: European Communities 1991 

d: Matthews 1987 

10 
Figure 1. Relationships for tables in VOC source emissions database. 

Based on the parameters in the tables in Figure 1, data entry forms were created (see Appendix A 

for description of form contents and example forms with data entered). As shown in Figure 1, 

certain parameters are assigned specific units to allow for number entries that could be used as 

search criteria. For example, the user could search for all records with experimental temperatures 

greater than 20 °C. This feature is discussed in more detail in a later section. A complete 

description of each data entry field is provided in Appendix A. 

The NRC database was originally in Access with the 15 tables shown in Figure 2. NRC of 

Canada maintains this database, but has made the data contents available to CONTAM users. As 

a result, a link was created to transfer data to CONTAM but does not allow modification to the 

original NRC database structure. 

11 
Figure 2. NRC database structure 

12 
Cooking and Combustion Appliance Database 

The cooking and combustion appliance database consists of the following nine tables linked by 

one-to-many relationships (see Figure 3): combustion source category (CATEGORY), 

combustion source type (TYPE), reference (REFERENCE), test facility specifications 

(FACILITY SPECS), test appliance specifications (APPLIANCE SPECS), test conditions 

(TEST CONDITIONS), source emission rates (EMISSION FACTORS), contaminant 

information (CONTAMINANT PROPERTY), and source model (EQUATION). Due to the wide 

range of types of combustion appliances, numerous experimental parameters were added to the 

test conditions table. Thus, not all data fields will be applicable to all sources. A description of 

data entry forms and representative forms are available in Appendix A. 

Figure 3. Cooking and Combustion Appliance Database Structure. 

13 
Particle Deposition Database 

The deposition rate database is organized such that there are many deposition rates 

(DEPOSITION PARAMETERS) per test condition (TEST CONDITIONS) and particle 

characteristic (PARTICLE); many test conditions per test facility (TEST FACILITY), and many 

test facilities per reference (REFERENCE) (see Figure 4). Particles are distinguished by their 

mean or median diameter as measured by a specific type of analytical instrument. For example, 

the diameters of particles sized by an optical particle counter are given as equivalent light 

scattering (ELS) diameters, whereas the diameters of particles sized by an aerodynamic particle 

sizer were given as mass median aerodynamic diameters (MMAD). For a specific example, see 

the data entry forms in Appendix A. 

Figure 4. Particle Deposition Database Structure. 

14 
Partition Coefficient Database 

The partition coefficient database consists of seven tables linked by one to many relationships. 

For every chemical (CHEMICAL), sorptive material (MATERIAL), and experimental test 

condition (TEST CONDITIONS), there can be multiple partition coefficients (PARTITION 

COEFFICIENTS). Each reference (REFERENCE) could include multiple test facilities (TEST 

FACILITY) and multiple test conditions. Each material is grouped by type (MATERIAL TYPE). 

Again there is only limited partition coefficient data available in the literature from which to 

build a database. As this data set grows, the database structure may need to be expanded. 

Currently available data entry forms are available in Appendix A. 

Figure 5. Partition Coefficient Database Structure. 

CONTAM Data Link Manager 

To aid the user in navigating the model input databases, the ContamLink 2.4 program was 

developed with the capabilities of browsing, searching, and selecting data for use in CONTAM. 

A complete description of ContamLink 2.4 and its user manual can be found in Appendix B. To 

download ContamLink 2.4, go to the CONTAM software page at: 

http://bfrl.nist.gov/IAQanalysis/software/index.htm. 

15 
DISCUSSION 

Lessons Learned 

Creation of accessible IAQ model input databases will undoubtedly make it easier for modelers 

to set up contaminant model scenarios. However, the convenience of such databases may also be 

a cause for concern. In particular, there is the potential for the data to be misinterpreted and 

misused, or the inclusion of poor quality data. While these are valid concerns, open access to all 

data is required for the verification and understanding of reported results. At this point, IAQ 

model input data should be considered “immature” and in need of being assessed. As such, the 

IAQ community could greatly benefit from model input databases that are readily accessible for 

assessments of data quality, trends, and gaps, as well as for convenient use in IAQ models. For 

example, a graph of the deposition rate data collected for the particle deposition database shows 

specific variations in deposition rates as a function of size (see Figure 6). In addition, by 

separating the data by analytical method, one can see that there is quite a bit more scatter in the 

deposition rates measured with a condensation nucleus counter (electrical mobility diameter) 

compared to an aerodynamic particle sizer (mass median aerodynamic diameter). Also, for 

particles of the same measured diameter, the deposition rates measured with optical particle 

counters (equivalent light scattering diameter) correlate well with those measured using a mass 

based instrument. One study reported activity mean aerodynamic diameters for submicron 

particles measured with a low-pressure impactor. Finally, the addition of a theoretical curve 

predicting deposition rates as a function of particle size shows most experimental data to follow 

the shape of that predictive curve but to be greater in magnitude, especially particles less than 0.1 

μm in size. 

0.001

0.01

0.1

1

10

100

1000

0.001 0.01 0.1 1 10 100

Particle Diameter (μm)

Deposition Rate (1/ h)

Activity Mean Aerodynamic Diameter Equivalent Light Scattering Diameter Electrical Mobility Diameter

Mass Median Aerodynamic Diameter Theoretical Curve (Lai and Nazaroff 2000)

Figure 6. Particle deposition rates included in database (18 references) plotted as a function of 

particle size. 

16 
Another observation made during the course of this project is the lack of consistent format for 

reporting model input data in the literature. This lack of consistency adds time to data 

compilation efforts and increases the likelihood of missing data entries and misinterpreting data. 

One possible solution would be to create a set of standardized specifications for reporting data, 

perhaps through standards development organization (SDOs) such as the American National 

Standards Institute (ANSI), ASTM International, or International Standards Organization (ISO). 

Although the current databases contain a rather long list of required fields, only a subset of these 

values would need to be required. The required reporting variables could be based on the 

database search parameters (see Table 3) or other agreed upon criteria. 

Future Directions 

Based on the lessons learned for this project, several potential future directions were identified. 

For example, another approach for compiling the data would be to use MatML, an Extensible 

Markup Language (XML) developed to manage and exchange materials information on the Web 

(www.matml.org). Currently, most data on the Web are contained in documents using the 

hypertext markup language (HTML). HTML was developed simply to format the display of 

information/data on web pages, and it does not provide a description of the data themselves. As a 

result, it is not easy to automate the processing of data contained in HTML documents, thereby 

limiting their accessibility for use by software. To address this problem, XML was developed to 

portray data in a structure that is meaningful to both humans and computers. MatML is a 

customized markup language developed specifically for materials property data. 

Recently, NIST completed a demonstration project to apply MatML to VOC source emission 

rate data (Begley and Howard-Reed 2005). Since MatML was designed to address any materials 

property data, it is well-suited for application to contaminant source emission rate databases. 

Thus, MatML would enable the IAQ community to use relevant tags for data management and 

exchange via the Web that could be accessed by any IAQ computer model. The challenge to this 

approach is convincing the IAQ community to adopt MatML for distributing data via the web. 

Using MatML requires learning the language and there is a need for more user-friendly editors. 

Another need is to compile data related to occupant exposure. Occupant exposure assessments 

are an application that would benefit from the interaction between IAQ models and model input 

databases. Exposure assessment is based on contaminant air concentrations in a given set of 

locations and the duration of occupant exposure to those contaminants in those locations. 

CONTAM has the capability to predict occupant exposure using predicted contaminant 

concentrations and a user provided occupancy schedule. To date, there are no standard exposure 

scenarios available to conduct a representative exposure assessment. However, exposure related 

survey data has been collected such as the National Human Activity Pattern Survey (NHAPS) 

(Tsang and Klepeis 1996). The NHAPS dataset contains 24 hour activity data for 9386 randomly 

selected respondents. Based on these data, it would be possible to build representative exposure 

scenarios that would include daily activities as well as length of stay in a specific room location. 

17 
ACKNOWLEDGEMENTS 

This work was sponsored under an Interagency Agreement with the U.S. Department of Housing 

and Urban Development, Office of Healthy Homes and Lead Hazards Control. The authors 

greatly appreciated the efforts of several people in helping to gather data for constructing the 

model input databases, including Jennifer Thomasen, Niren Nagda, Lisa Kim, and Ivette 

Morazzani. We would also like to thank the National Research Council of Canada and Gene 

Tucker (formerly of the U.S. Environmental Protection Agency) for use of their respective 

source emission rate databases. 

DISCLAIMER 

In an effort to enhance the scientific study of indoor air quality, published model input data are 

accessible on this site. However, care must be taken when using these data as they are intended 

for research use. Users of these data assume sole responsibility for determining the 

appropriateness of their use in any particular application and for any conclusions drawn from 

results of their use. NIST used its best efforts to deliver a high quality copy of the Database and 

to verify that the data contained therein have been selected on the basis of sound scientific 

judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for 

any damage that may result from errors or omissions in the Database. 

Certain trade names and company products are mentioned in the text to specify adequately the 

products and equipment used in the test and those needed to use this software. In no case does 

such identification imply endorsement by the National Institute of Standards and Technology of 

these products and equipment, nor does it imply that the products are necessarily the best 

available for the purpose. 

18 
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24 
25 

APPENDIX A – DATA ENTRY FORMS 

EPA VOC Source Emission Rate Database Entry Forms 

Table Name: Reference

Data Field Field Description Data Type Units 

Reference name Complete citation for reference Text 

Reference degree Reflects peer review status of reference. For example, a 

1st degree reference indicates journal level review, 2nd

degree reference indicates conference level review, and 

3rd degree reference indicates internal review. 

Number 

Reference 

abbreviation 

Consists of the first three letters of the first author’s last 

name and abbreviated year of publication. 

Text 

Table Name: Material 

Data Field Field Description Data Type Units 

MaterialTypeName Internal reference descriptor with Reference 

abbreviation 

Text 

MatNotes Relevant information describing material Text 

NAICS North American Industry Classification System 

number 

Text 

TypeID Link to material type Number 
26 

Table Name: ETest 

Data Field Field Description Data Type Units 

Sample name Internal reference descriptor with Ref. abbreviation Text 

Surface area Product surface area exposed in test facility Number m

2

Sample loading Product surface area to test facility volume ratio Number m

2

/m3

Sample substrate Composition of material on which test product is 

applied 

Text 

ETestNotes Clarifying and additional information regarding 

sample 

Text 

Product Age at 

start of test 

Age of sample at star of test Number h 

Material Type Link to material type name Number 

Reference 

Abbreviation 

Link to reference abbreviation Number 

TestCond_ID Link to test conditions number Number 
27 

Table Name: Testcond 

Data Field Field Description Data Type Units 

Test Conditions Name Same as reference abbreviation Text 

Test Facility Type Description of test facility Text 

Temperature Temperature of test facility air Number ° C 

Temperature Uncertainty Uncertainty of temperature measurement Number ± ° C 

Relative Humidity Relative Humidity of test facility air Number % 

Relative Humidity 

Uncertainty 

Uncertainty of relative humidity measurement Number ± % 

Surface Air Velocity Air velocity in test facility near sample surface Number m/s 

Turbulent Kinetic Energy Turbulent kinetic energy of test facility air Number 

Air change rate Air change rate of test facility Number 1/ h 

Air change rate 

uncertainty 

Uncertainty of air change rate measurement Number ±1/ h 

Test facility construction 

material 

Material covering test facility walls, ceiling and 

floor 

Text 

Test facility volume Volume of air in test facility Number m3

TCondNotes Clarifying and additional information regarding 

test conditions 

Text 

Individual VOCs ≤ 2 

μg/m3

Is concentration of each VOC measured in 

background air of test facility less than or equal 

to 2 μg/m3? 

Yes/No 

Sum VOCs ≤ 10 μg/m3 Is concentration of all VOCs measured in 

background air of test facility less than or equal 

to 10 μg/m3? 

Yes/No 
28 

Table Name: Equation 

Data Field Field Description Data Type Units 

Description Description of emissions model Text 

Equation Model equations with definition of coefficients Text 

NoOfCoef Number of model coefficients Number 

Coefficient 1 Parameter defined as model coefficient 1 Text 

Coefficient 2 Parameter defined as model coefficient 2 Text 

Coefficient 3 Parameter defined as model coefficient 3 Text 

Coefficient 4 Parameter defined as model coefficient 4 Text 

Source Model Type CONTAM Name of source model Text 

Table Name: Property 

Data Field Field Description Data Type Units 

ContamName Name of contaminant Text 

Molecular weight Molecular weight of contaminant Number 

PropNotes Clarifying or additional information regarding the 

contaminant 

Text 

CASN Chemical Abstract Service Number Text 
29 

Table Name: Contaminant 

Data Field Field Description Data Type Units 

Contaminant Name Link to contaminant name Text 

Max emission factor Maximum emission rate for sample period Number 

Max emission 

uncertainty 

Uncertainty of maximum emission rate 

measurement 

Number 

Min emission factor Minimum emission rate for sample period Number 

Min emission 

uncertainty 

Uncertainty of minimum emission rate 

measurement 

Number 

Median emission 

factor 

Median emission rate for given sample time Number 

Median emission 

uncertainty 

Uncertainty of median emission rate 

measurement 

Number 

Mean emission factor Mean emission rate for given sample time Number 

Mean emission 

uncertainty 

Uncertainty of mean emission rate 

measurement 

Number 

Coeff_1 Value of model coefficient 1 Number 

Coeff_2 Value of model coefficient 2 Number 

Coeff_3 Value of model coefficient 3 Number 

Coeff_4 Value of model coefficient 4 Number 

Coeff_5 – Coeff_10 Value of model coefficients 5 – 10, if 

necessary 

Number 

Sampling Period The length of time sample was collected Text h 

Sample Volume Volume of sample collected Text m3

Analytical Method Detector used to measure concentration Text 

Contam Description Clarifying or additional information 

regarding emission rate data 

Text 

Units Units of coefficients listed in order Text 

Measurement time Time sample was collected Text h 

No. of Measurements Number of samples included in reported 

emission factor 

Text 

Source Model Type Link to source model Number 

Sample Name (Test) Link to test conditions Number 
30 

Combustion Source Emission Rate Data Entry Forms 

Data Field Field Description Data Type Units 

Authors Authors of reference Text 

Publication Year Year reference was published Text 

Journal Name Title of journal or other document where reference 

was published 

Text 

Degree of Reference Reflects peer review status of reference. For example, 

a 1st degree reference indicates journal level review, 

2nd degree reference indicates conference level 

review, and 3rd degree reference indicates internal 

review. 

Number 

Reference 

Abbreviation 

Consists of the first three letters of the first author’s 

last name and abbreviated year of publication. 

Text 

Complete citation Complete citation for reference Text 
31 

Data Field Field Description Data Type Units 

Test Facility Name Reference Abbreviation with internal descriptor of 

test facility 

Text 

Type Type of test facility Text 

Facility Construction 

Material 

Material covering test facility walls, ceiling and floor Text 

Volume Volume of air in test facility Number m3

Floor Area Surface area of test facility floor Number m

2

Area/Volume ratio Surface area of test facility to volume of test facility 

ratio 

Number m

2

/m3

Internal Surface 

Area 

Surface area of test facility walls, ceiling and floor Number m

2

Type of Surfaces Description of surfaces in test facility, in addition to 

walls, ceiling and floor 

Text 

Air Supply Source of air added to test facility Text 

Facility Airflow 

Rate 

Airflow rate measured in test facility Number m3/h 

Facility Pressure Air pressure measured in test facility Text 

Altitude Altitude of test facility Text 

Type of Mixing Fans Description of mixing fans in test facility Text 

Type of Air 

Cleaning 

Description of filtration/air cleaning devices used in 

test facility 

Text 

Notes Clarifying or additional information regarding test 

facility 

Text 

Sampling Locations Description of sample locations in test facility Text 

Reference 

Abbreviation 

Link to reference abbreviation Number 
32 

Data Field Field Description Data Type Units 

Appliance Name Reference abbreviation and internal appliance 

descriptor 

Text 

Combustion Type Combustion mechanism Text 

Fuel Type Fuel used in appliance Text 

Max Fuel input 

rating 

Maximum fuel input rating for appliance Number kJ/h 

Number of Burners Number of burners operated during test Number 

Burner Material Material of burners used in test Text 

Burner Ports Type of burner port in appliance Text 

Damper Control Does the appliance have damper control? Yes/No 

Air Shutter Does the appliance have an air shutter? Yes/No 

Radiant Element Type of radiant element Text 

Age of Appliance Appliance age at time of test Number h 

Vented Is the appliance vented? Yes/No 

Wick Material Type of candle wick Text 

Grate Does the appliance have a grate? Yes/No 

Appliance Type Link to appliance type Number 

Facility Name Link to facility name Number 

Notes Clarifying or additional information regarding 

appliance specifications 

Text 
33 

Data Field Field Description Data Type Units 

Test Conditions Name Reference ID and internal descriptor Text 

QC Internal Number Internal record keeping number for quality 

assurance checks 

Number 

Number of Units Tested Number of appliances tested for given emission 

factor 

Number 

Duration Length of experiment Text h 

Duration Subperiods Any distinction of experiment time periods Text 

Indoor Temperature Temperature of room air in test facility Number ° C 

Indoor Temperature 

Uncertainty 

Uncertainty of temperature measurement Number ± ° C 

Relative Humidity Relative humidity of test facility Number % 

Relative Humidity 

Uncertainty 

Uncertainty of relative humidity measurement Number ± % 

Airflow Rate Flow rate of air through test facility Number m3/h 

Air Change Rate Volumetric air change rate of test facility Number 1/h 

Air Change Rate 

Uncertainty 

Uncertainty of air change rate measurement Number ± 1/h 

Air Speed Velocity of air near surface of test appliance Number m/s 

Mixing Time Period of mixing prior to first sample Number h 

Number of Mixing Fans Number of mixing fans in test facility Number 

Mixing Fan Status Description of mixing fan use during the test Text 

Appliance Link to appliance name Number 

HVAC Fan Status Description of facility HVAC use during the test Text 

Exhaust Fan Status Description of facility exhaust fan use during the 

test 

Text 

Flame/Box Temperature Temperature of heated chamber (e.g., fire box, 

oven, etc.) 

Number ° C 
34 

Oxygen Consumption Appliance oxygen consumption rate Text 

Thermal Load Thermal load of appliance Number 

Number of Burners 

Operating 

Number of burners on during the test Number 

Burner Setting Level of burner setting according to appliance 

(e.g., low, medium, high) 

Text 

Burner Tune Status How well-tuned are the appliance burners Text 

Primary Aeration Rate Allowance of primary air to appliance Text 

Flame Color Color of appliance flame Text 

Wood Type Type of wood burned Text 

Wood Moisture Moisture content of wood burned Text 

Fuel Consumption Rate Rate of fuel consumption for appliance Number kJ/h 

Amount of Fuel Burned Mass of fuel burned for test Text 

Gas Line Pressure Pressure of gas in input line Text 

Type of Candle Type of candle burned for test Text 

Wick Height Height of candle wick Text 

Mode of Candle Burning Description of candle burn (e.g, sooting, etc.) Text 

Background 

Concentration 

Room air concentration in test facility prior to test Text 

Cooking Utensil Type of utensil used in cooking test Text 

Type of Cooking Description of cooking style for test Text 

Type of Food Description of food cooked during test Text 

Notes Clarifying or additional information regarding 

test conditions 

Text 
35 

Data Field Field Description Data Type Units 

Name CONTAM name of source model Text 

Description Description of emissions model 

Equation Model equations with definition of coefficients Text 

Notes Clarifying or additional information regarding source 

model equations 

Text 

Number of 

Coefficients 

Number of model coefficients Number 

Coefficient 1 Parameter defined as model coefficient 1 Text 

Coefficient 2 Parameter defined as model coefficient 2 Text 

Coefficient 3 Parameter defined as model coefficient 3 Text 

Coefficient 4 Parameter defined as model coefficient 4 Text 

Coefficient 5 Parameter defined as model coefficient 5 Text 
36 

Data Field Field Description Data Type Units 

Name Name of contaminant Text 

Class Physical state of contaminant Text 

Mean Particle 

Diameter 

Mean diameter of particle measured Number μm 

Molecular Weight Molecular weight of contaminant Text 

Effective Particle 

Density 

Effective density of particle Number g/cm3

Notes Clarifying or additional information regarding 

contaminant properties 

Text 
37 

Data Field Field Description Data Type Units 

Contaminant Link to contaminant ID Number 

QC Internal Number Internal record keeping number for quality 

assurance checks 

Number 

PM Size Fraction Range of particle diameters for given emission 

factor 

Text 

Emission Factor Units Units of reported emission factors Text 

Max Emission Factor Maximum emission rate for sample period Number 

Max Emission Factor 

Uncertainty 

Uncertainty of maximum emission rate 

measurement 

Number 

Min Emission Factor Minimum emission rate for sample period Number 

Min Emission Factor 

Uncertainty 

Uncertainty of minimum emission rate 

measurement 

Number 

Median Emission Factor Median emission rate for sample period Number 

Median Emission Factor 

Uncertainty 

Uncertainty of minimum emission rate 

measurement 

Number 

Mean Emission Factor Mean emission rate for sample period Number 

Mean Emission Factor 

Uncertainty 

Uncertainty of mean emission rate measurement Number 

Emission Factor Below 

Detection Limit? 

Are the measured concentrations less than the 

minimum detection limit? 

Yes/No 

Standard Deviation Standard deviation of mean emission rate for 

sample period 

Number 

Geometric Mean Geometric mean emission rate for sample period Number 

GSD Geometric standard deviation of emission rate for 

sample period 

Number 

Record Number Database automatic record number Autonumber

Coef 1 Value Value of first coefficient in model equation Number 

Units for Coef 1 Units of first coefficient in model Text 

Coef 2 Value Value of second coefficient in model equation Number 

Units for Coef 2 Units of second coefficient in model Text 
38 

Coef 3 Value Value of third coefficient in model equation Number 

Units for Coef 3 Units of third coefficient in model Text 

Coef 4 Value Value of fourth coefficient in model equation Number 

Units for Coef 4 Units of fourth coefficient in model Text 

Coef 5 Value Value of fifth coefficient in model equation Number 

Units for Coef 5 Units of fifth coefficient in model Text 

Equation Link to equation ID Number 

Notes Clarifying or additional information regarding the 

emission rate measurements 

Text 

Analytical Method Instrument used to measure contaminant 

concentrations 

Text 

Uncertainty Uncertainty of analytical method used to measure 

contaminant concentrations 

Text 

Sampling Rate Volumetric airflow sample rate of instrument Number m3/h 

Sampling Period Duration of sample collection Text 

Sample Volume Air volume of sample collected Number m3

Measurement Time Time sample was collected Text 

Number of 

Measurements 

Number of samples collected for emission rate 

estimate 

Number 

Number of Replicate 

Tests 

Number of replicate experiments included in 

emission rate estimate 

Number 

Test Condition Link to Test Condition ID Number 
39 

Particle Deposition Rate Entry Forms 

Data Field Field Description Data Type Units 

Reference ID Consists of the first three letters of the first author’s 

last name and abbreviated year of publication 

Text 

Reference Title Title of reference Text 

Authors Authors of reference Text 

Year of Publication Year reference was published Text 

Journal Name Title of journal or other document where reference 

was published 

Text 

Complete citation Complete citation for reference Text 

Data Field Field Description Data Type Units 

Particle ID Consists of PM_particle diameter_type of diameter 

based on analytical method 

Text 

Mean Diameter Mean particle diameter Number μm 

Median Diameter Median particle diameter Number μm 

Range Minimum Minimum particle diameter for range of sizes Number μm 

Range Maximum Maximum particle diameter for range of sizes Number μm 

Mean Volume Mean volume of particle Number μm3

Median Volume Median volume of particle Number μm3

Notes Clarifying or additional information regarding the 

particle properties 

Text 
40 

Data Field Field Description Data Type Units 

Test Facility ID Test facility type and Reference ID Text 

Reference ID Link to Reference ID Number 

Test Facility Type Type of test facility Text 

Test Facility 

Location 

Geographical location of test facility Text 

Test Facility 

Description 

General description of test facility Text 

Facility Mixing 

Mechanism 

Air mixing mechanisms in test facility Text 

Test Facility Volume Air volume of test facility Number m3

Test Facility Floor 

Area 

Surface area of the test facility floor Number m

2

Test Facility Ceiling 

Height 

Average height from floor to ceiling of test facility Number m 

Facility S.A./Vol 

Ratio 

Total surface area of the test facility to volume of test 

facility ratio 

Number m

2

/m3

Notes Clarifying or additional information related to the test 

facility 

Text 
41 

Data Field Field Description Data Type Units 

Test Condition ID Reference ID and internal test condition descriptor Text 

TestFacilityID1 Link to Test Facility ID Number 

Temperature Air temperature in test facility Number ° C 

Relative Humidity Relative humidity of room air in test facility Number % 

Air Change Rates Range of air change rates for test condition Text 1/h 

Air Speed Room air velocity Number m/s 

Mixing Time Period of particle mixing in test facility prior to 

deposition measurements 

Number h 

Mixer Speed Mixing fan speed Number rad/s 

HVAC Fan Status Was HVAC fan operating during test? Text 

Furnace Filter Type If HVAC fan was operating, what type of filter was 

present 

Text 

Particle Generation 

Method 

Mechanism or device used to generate particles Text 

Particle Composition Composition of particles Text 

Particle Density Effective density of particles Number g/cm3

Particles Neutralized? Were the generated particles neutralized before 

release? 

Yes/No 

Furnishings General description of furnishings in test facility Text 

Wall Texture Material covering test facility walls Text 

Ceiling Texture Material covering test facility ceiling Text 

Floor Type Material covering test facility floor Text 

Other textures Additional test facility textures worth noting Text 

Total S.A./Vol Ratio Total surface area of test facility to volume of test 

facility ratio 

Number m2/m3

Notes Clarifying or additional information related to test 

conditions 

Text 
42 

Data Field Field Description Data Type Units 

Test Conditions Link to Test Condition ID Number 

Particle ID Link to Particle ID Number 

Total Decay Rate Total decay rate of particle including all loss 

mechanisms 

Number 1/h 

Air Change Rate Air change rate of test facility for specific test Number 1/h 

Deposition Velocity Measured deposition velocity of particle Number m/h 

Standard Deviation Standard deviation of measured deposition 

velocity 

Number m/h 

Deposition Rate Measured deposition rate of particle Number 1/h 

Standard Deviation Standard deviation of measured deposition rate Number 1/h 

Standard Error Standard error of measured deposition rate Number 1/h 

Number of Experiments Number of experiments included in deposition 

value 

Number 

Particle Analysis Method Method to collect and analyze particle mass or 

concentrations for a specific particle diameter 

Text 

Deposition Determination 

Method 

Mathematical method used to determine 

particle deposition rate 

Text 

Maximum Initial Particle 

Concentration 

Maximum particle concentration at start of 

deposition experiment to indicate effect of 

coagulation 

Number #/cm3

Notes Clarifying or additional information regarding 

deposition values 

Text 

Deposition Record 

Number 

Internal tracking number for quality assurance 

checks 

Autonumber
43 

Partition Coefficient Data Entry Forms 

Data Field Field Description Data Type Units 

Reference ID Consists of the first three letters of the first author’s 

last name and abbreviated year of publication 

Text 

Reference Title Title of reference Text 

Authors Authors of reference Text 

Year of Publication Year reference was published Text 

Journal Name Title of journal or other document where reference 

was published 

Text 

Complete citation Complete citation for reference Text 

Data Field Field Description Data Type Units 

Material Name Consists of Reference ID and internal material 

descriptor 

Text 

Material Type Link to sorbent material type Number 

Material Bulk Density Bulk density of sorbent material Number kg/m3

Material Description Description of material used in experiment Text 

Notes Clarifying or additional information related to 

sorbent material 

Text 
44 

Data Field Field Description Data Type Units 

Chemical Name Name of chemical used in sorption experiment Text 

Molecular Weight Molecular weight of chemical Text 

Vapor Pressure Vapor Pressure of chemical at specific temperature Number Pa 

VP@ Temperature Specific temperature for vapor pressure value Number ° C 

Air Diffusion 

Coefficient 

Diffusion coefficient of chemical in air Number m

2

/s 

CASN Chemical Abstract Service Number Text 

Notes Clarifying or additional information regarding 

chemical used in experiment 

Text 
45 

Data Field Field Description Data Type Units 

Test Facility ID Internal test facility descriptor and Reference ID Text 

Reference ID Link to Reference ID Number 

Test Facility Type Type of test facility Text 

Test Facility Material Material covering test facility walls, ceiling and 

floor 

Text 

Test Facility Location Geographical location of test facility Text 

Test Facility 

Description 

General description of test facility Text 

Facility Mixing 

Mechanism 

Mechanism used to mix test facility room air Text 

Test Facility Volume Volume of test facility air Number m3

Notes Clarifying or additional information related to test 

facility 

Text 
46 

Data Field Field Description Data Type Units 

Test Conditions ID Reference ID and internal descriptor of test 

conditions 

Text 

Test Facility Link to Test Facility ID Number 

Temperature Temperature of test facility air Number ° C 

Relative Humidity Relative humidity of test facility air Number % 

Air Change Rates Air change rate of test facility Number 1/h 

Air Velocity Velocity of test facility air near surface of material Number m/s 

Mixing Time Mixing time of test facility air Number h 

Mixer Speed Rotational speed of test facility mixing mechanism Number rad/s 

Specimen Preparation General description of preparation of materials for 

experiment 

Text 

Material Preconditioning Any pre-experimental procedures for the material 

specimen 

Text 

Notes Clarifying or additional information regarding test 

conditions 

Text 
47 

Data Field Field Description Data Type Units 

Chemical Name Link to Chemical ID Number 

Material Name Link to Material ID Number 

Test Conditions Link to Test Conditions ID Number 

Partition Coefficient Measure partition coefficient for given 

chemical and material 

Number g air/ 

g material 

Standard Deviation Standard deviation of partition coefficient 

measurement 

Number g air/ 

g material 

Standard Error Standard error of partition coefficient 

measurement 

Number g air/ 

g material 

Analytical Method Method used to measure chemical 

concentration 

Text 

Number of 

Experiments 

Number of experiments included in partition 

coefficient value 

Number 

Notes Clarifying or additional information regarding 

partition coefficient value 

Text 

Partition Coefficient 

Record Number 

Internal tracking number for quality assurance 

checks 

Text 
48 

APPENDIX B: ContamLink 2.4 User Manual 

Introduction 

ContamLink is a tool that is used to facilitate the transfer of information from contaminant 

emission databases to CONTAM as CONTAM source/sink elements. These databases contain 

experimental contaminant modeling data, including source emission rates for volatile organic 

compounds, inorganic gases and particles, particle deposition rates, sorption rates, and air 

cleaning removal. 

Getting ContamLink 

ContamLink can be downloaded from CONTAM’s homepage 

(http://bfrl.nist.gov/IAQanalysis/software/index.htm). Installation instructions can be found on 

ContamLink’s download page. 

Using ContamLink 

The ContamLink main window has three parts: the menubar, the sidebar and the data viewer (see 

Figure 1). 

Figure 1. ContamLink main window. 

Menubar 

The Tools dropdown menu on the window bar includes the commands to open or search a 

database, create a source/sink or super source/sink, or exit the program. 
Sidebar 

The sidebar has three functions. The first is to browse a database’s contents. This is done with a 

tree to show the hierarchy of the database. The second function of the sidebar is to show results 

of searching the database. The third function is the library manager. This library manager is 

similar to the one found in ContamW (Walton and Dols, 2005). Species and source/sinks that 

are created in ContamLink can be managed here. 

Data Viewer 

The data viewer displays information from the database. The data shown depends on what is 

selected when browsing or searching the database. The data viewer is not used with the library 

manager. 

Loading a database 

A database can be loaded using Tools ⇒ Open Database from the menu or using the Ctrl+O 

keyboard shortcut. The dialog shown in Figure 2 is then presented. 

Figure 2. Choosing a database window. 

Pick the type of database file to use on the left. Then use the corresponding browse button to 

pick the database file to use. Databases are available on the CONTAM homepage 

(http://bfrl.nist.gov/IAQanalysis/software/CONTAMLINKdatabases.htm) and the database 

filenames match the respective “database type”. For example, the Particle Deposition filename is 

“Particle Deposition.” After the database is successfully loaded, a dialog box will appear. Click 

OK to begin using the database. 

Browsing a database 

After a database is loaded the contents of the database can be browsed. The browse tab, on the 

sidebar, is used to show the hierarchy of the database. Most items in the hierarchy show 

information in the data viewer, which correspond to a record in a table or multiple tables that are 

joined together from the database. Each database has a slightly different hierarchy which is 

presented below: 

EPA Database 

The first level of the EPA VOC source database shows the categories of materials contained in 

the database. The next level provides the types of materials in this category (e.g., water-based 

49 
paint is a type of Paint and Coating). Below each material type are specific studies that generated 

emission results. Clicking on a study name shows a more detailed description of the material 

used in the study. The different test conditions used for a specific study are listed in the next 

level, with details in the data viewer window. Finally, all of the chemical compounds measured 

are listed. Clicking on each compound shows emission rate results and model information in the 

data viewer. Figure 3 shows the EPA VOC source database hierarchy with the test conditions 

highlighted for the data viewer window. 

Figure 3. Browsing capabilities of VOC source emissions database with ContamLink and 

material test conditions results display. 

NRC Database 

The NRC VOC Source emission database has a similar hierarchy to the EPA VOC source 

database (see Figure 4). 

50 
Figure 4. Browsing capabilities of NRC VOC source emissions database with ContamLink and 

environmental test conditions results display. 

Combustion Source Strength Database 

The first level of the combustion source strength database hierarchy is category of combustion 

appliance (see Figure 5). The next level includes the different types of appliances in each 

category (e.g., kerosene space heater is type of space heater). Under each appliance type is a list 

of specific studies, which, when highlighted, show the appliance and test facility specifications in 

the data viewer. The next level lists different test conditions for each study with the specific 

values given in the data viewer. The final level lists all contaminants measured in each study 

with contaminant properties, emission factors, and model information in the data viewer. 

51 
Figure 5. Browsing capabilities of Combustion Source Strength database with ContamLink and 

appliance and test facility specification in results display. 

Particle Deposition Database 

The particle deposition database is first organized according to the type of test facility used for 

each deposition study (see Figure 6). The next level lists each deposition study for that type of 

facility with reference and test facility details in the data viewer. The different test conditions for 

each study is provided in the next level with specific values given in the data viewer. Finally, 

specific particle sizes are listed with the associated deposition rates given in the data viewer. 

52 
Figure 6. Browsing capabilities of Particle Deposition database with ContamLink and particle 

deposition results in results display. 

Partition Coefficient Database 

The first level of the Partition Coefficient database hierarchy is a list of sorptive indoor materials 

(see Figure 7). Under each material type is a list of sorption studies which displays more 

information about the material in the data viewer. The next level lists the chemicals used in the 

sorption study with information about the tests in the data viewer. 

53 
Figure 7. Browsing capabilities of Partition Coefficient database with ContamLink and partition 

coefficient results in results display. 

Searching a database 

Searching the database makes it easier to find records in the database. Search the database by 

using Tools ⇒ Search Database from the menu or using the Ctrl+S keyboard shortcut. The 

dialog shown in Figure 8 is then presented. 

The first step is to define the search parameters. The search parameters available vary depending 

on the database that is used. Table 1 lists all of the available search parameters for each database. 

On the dialog select a parameter, an operator and enter a value for the parameter. Then add that 

parameter set to the query by pressing the Add button. When using more than one parameter you 

also need to select if the parameters are to be used together using the AND operator. Or if the 

parameters are to be used separately using the OR operator. 

54 
Figure 8. Searching capabilities for VOC emissions database. 

Initiate the search by pressing the Search button. A message bow will give the number of 

records that matched the search parameters. The records can be found in the Search tab of the 

sidebar. The search tab shows the same hierarchy as the browse tab but only includes the records 

that matched the search query. The search results can also be browsed like the browse tab. 

55 
Table 1. Search Parameters for each Model Input Database 

VOC Emission Rates 

Combustion 

Emission Rates 

Particle Deposition 

Rates 

Partition 

Coefficients 

Category Category Test Facility Type 

Area/Volume Ratio 

(1/m) 

Material Type 

Material Type Combustion Type Contaminant Name 

NAICS Fuel Type Molecular Weight 

Contaminant Name 

CASN 

Contaminant Name Air Change Rate (1/h) Vapor Pressure (Pa) 

Contaminant Class Mixing Mechanism CASN 

Molecular Weight Molecular Weight Particle ID Test Facility Type 

Test Facility Type Test Facility Type Mean Diameter (μm) Temperature (°C) 

Sample Substrate Facility Altitude Median Diameter (μm) R.H. (%) 

Product Age (h) Fuel Consumption Particle Analytical Air Change Rate (1/h) 

Temperature (°C) Rate (kJ/h) Method Reference Authors 

R.H. (%) Equation Name Generation Method Year of Publication 

Air Change Rate (1/h) Reference Authors Particle Composition Degree of Reference 

Year of Publication 

Degree of Reference 

Source Model Type Neutralized Particles? 

Reference Authors Reference Authors 

Year of Publication Year of Publication 

Degree of Reference Degree of Reference 

Library Manager 

The third function of the side bar is the library manager. CONTAM libraries are external files 

whose purpose is to store pre-defined/user-defined simulation elements (schedules, wind 

pressure profiles, airflow elements, and duct elements) for use in multiple CONTAM 

simulations. The library manager is a way to easily create and manage these library files. 

ContamLink allows the user to only manage species and sources, since these are the only 

elements that are needed by ContamLink. Other elements like filters that can use the species in 

these libraries need to be defined in ContamW. Those elements will remain in the library when 

it is saved. 

Library File 

The user may either open an existing species-related library file or create a new one through 

ContamLink. To open an existing file press the "Browse" button and select the appropriate 

library file. The name of the library file opened and any description provided in the file will be 

displayed in the respective name and description fields. To manually create a new library file 

press the "New" button (see “Creating CONTAM Sources/sinks from a Database” to 

automatically add species and sources to library file). This will provide a clear field in the 

Library Elements part of the dialogue box. After adding new elements to the Element name list 

the list may be saved as a new CONTAM Library file. 

56 
Species and Source/Sinks 

This is a list of species and source/sink elements present in the current library file. A more 

detailed description of the element will be displayed below the Element name list, if a 

description for the element is available. 

There are a few options to add and remove elements from the list. A new element may be created 

by pressing the new button then following the appropriate steps to create a new element. 

Elements already in the library file may be modified by first selecting them from the list and 

pressing the edit button. If a species is not used by a source/sink in the library file it may be 

removed by selecting it from the element list and then pressing the delete button. Source/Sinks 

can always be deleted from a library. 

Creating CONTAM sources/sinks from a database 

CONTAM source/sinks are created using a wizard to define species and source/sink elements. 

By either searching or browsing a database, records from the database are chosen to be the basis 

for a CONTAM source/sink element. The lowest items in the browse tree or search tree (either 

contaminant names or particle sizes) correspond to a CONTAM source/sink element. Right click 

on one of these items and select Create Source/Sink from the context menu (see Figure 9). A 

wizard is started to create a source/sink. The wizard can also be started using Tools ⇒ Create 

Source/Sink from the menu or using the Ctrl+C keyboard shortcut. 

Figure 9. Automatically adding a source/sink to library manager using ContamLink wizard. 

Pick a species 

If a species exists in the current library then you will be given the opportunity to reuse a species 

for the source being created. Otherwise the wizard will start with the next step. You can select to 

57 
create a new species or use an existing species. Information about the species selected from the 

database is shown on the left side of the window (see Figure 10). 

Figure 10. Selecting a species for library file. 

Define a Species 

If there is no existing species or an existing species was not used then you have to define a 

species for the source/sink to use (see Figure 11). The species being defined can be edited on the 

right side of the window. Information about the selected species from the database is shown on 

the left side of the window. The name of the species from the database is reused. Because there 

is a limit on the length of a species name the name may be trimmed. Also, there cannot be any 

spaces in the species name. The full name is put into the description. If available the molecular 

weight is also taken from the database. 

58 
Figure 11. Defining a species using ContamLink wizard. 

59 
Picking a Source/Sink Model 

Next a source/sink model must be chosen. Some model selections may be limited depending on 

the database being used due to what is expected to be in those databases. Information about the 

model from the database is shown on the left hand side of the wizard (see Figure 12). 

Figure 12. Selecting a CONTAM source/sink model using ContamLink wizard. 

60 
Defining the Source/Sink 

When defining the source/sink some fields will be initialized with values from the database 

record. Some of the information from the database records is shown on the left side of the 

window (see Figure 13). After defining the source, the wizard is complete and the new species 

and source/sink will be shown in the library manager. 

Figure 13. Defining a source/sink using ContamLink wizard. 

Creating a Super Source/Sink from a database 

The super element allows multiple elements of the other types to be combined into a single 

element. This can reduce repetitious work required to create multiple sources throughout a 

building by allowing multiple sources to be represented by a single icon on the SketchPad. 

Creating a super source/sink is similar to creating a simple source/sink, however the process is 

started at a different level in the Browse or Search tree (see Figure 14). To create a super 

source/sink you select the level that corresponds to study test conditions, which is one level 

above the selection point for a simple source/sink. 

61 
Figure 14. Creating a super source/sink using ContamLink Wizard. 

Another difference when creating a super source/sink is that there is an additional step that is 

done first in the wizard. This step entails selecting which contaminants to include in the super 

source/sink (see Figure 15). 

Figure 15. Selecting contaminants to include in the super source using ContamLink wizard. 

62 
Each of these contaminants will have to have a species and a simple source/sink defined. The 

definition of these species and source/sinks has the same procedure as defining any other simple 

source/sink. These simple source/sinks will then be included in the super source/sink. After the 

simple source/sinks are defined you define the super source. 

Figure 16. Defining subsources that make up super source using ContamLink wizard. 

You can edit the sub source/sinks by pressing the small button by the right edge of the window, 

which is present in the SubSources row when it is selected. It will bring up the dialog box in 

Figure 17. 

63 
Figure 17. Defining subsources that make up super source using ContamLink wizard. 

The simple source/sinks included in the super source/sink are shown on the left side of the 

window. On the right side of the window is a list of the available simple source/sinks that can be 

included in the super source/sink. One can edit the simple sources or create new simple 

source/sinks from this dialog. The user can also add or delete simple source/sinks to/from the 

super source/sink. 

When finished defining the super source/sink and closing the dialog box with the OK button, the 

super source/sink will appear in the library manager. 

64