From http://bioenergy.ornl.gov/papers/misc/energy_conv.

html:

Metric tonne ethanol = 7.94 petroleum barrels = 1262 liters

ethanol energy content (LHV) = 11,500 Btu/lb = 75,700 Btu/gallon = 26.7 GJ/t = 21.1 MJ/liter.
HHV for ethanol = 84,000 Btu/gallon = 89 MJ/gallon = 23.4 MJ/liter
ethanol density (average) = 0.79 g/ml ( = metric tonnes/m 3)

Gasoline: US gallon = 115,000 Btu = 121 MJ = 32 MJ/liter (LHV). HHV = 125,000 Btu/gallon = 132 MJ/gallon = 35

Metric tonne gasoline = 8.53 barrels = 1356 liter = 43.5 GJ/t (LHV); 47.3 GJ/t (HHV)
gasoline density (average) = 0.73 g/ml ( = metric tonnes/m 3)

From http://www.engineeringtoolbox.com/molecular-weight-gas-vapor-d_1156.html:

The molecular weight of a substance, also called molecular mass, is the mass of one molecule of that substance,
relative to the unified atomic mass unit u equal to 1/12 the mass of one atom of carbon-12.

Gas or Molecular
Vapor Weight
Acetylene
, C2H2 26.04
Air 28.966
Ammonia 17.02
Argon, Ar 39.948
Benzene 78.11

N-Butane,
C4H10 58.12
Iso-
Butane
(2-Metyl
propane) 58.12

Butadiene 54.09
1-Butene 56.108
cis -2-
Butene 56.108
trans-2-
Butene 56.108
Isobutene 56.108
Carbon
Dioxide,
CO2 44.01
Carbon
Disulphid
e 76.13
Carbon
Monoxide
, CO 28.011
Chlorine 70.906
Cyclohex
ane 84.16

Deuterium 2.014
Ethane,
C2H6 30.07
Ethyl
Alcohol
(ethanol) 46.07
Ethyl
Chloride 64.515
Ethylene,
C2H4 28.054
Fluorine 37.996
Helium,
He 4.02
N-
Heptane 100.2
Hexane 86.17
Hydrochlo
ric Acid 36.47
Hydrogen
, H2 2.016
Hydrogen
Chloride 36.461
Hydrogen
Sulfide 34.076
Hydroxyl,
OH 17.01
Krypton 83.8
Methane,
CH4 16.044
Methyl
Alcohol 32.04
Methyl
Butane 72.15
Methyl
Chloride 50.488
Natural
Gas 19
Neon, Ne 20.179
Nitric
Oxide,
NO2 30.006
Nitrogen,
N2 28.0134
Nitrous
Oxide 44.012
N-Octane 114.22
Oxygen,
O2 31.9988
Ozone 47.998
N-
Pentane 72.15
Iso-
Pentane 72.15
Propane,
C3H8 44.097

Propylene 42.08
R-11 137.37
R-12 120.92
R-22 86.48
R-114 170.93
R-123 152.93
R-134a 102.03
R-611 60.05
Sulfur 32.02
Sulfur
Dioxide 64.06
Sulfuric
Oxide 48.1
Toluene 92.13
Xenon 131.3
Water
Vapor,
H2O 18.02
lon = 132 MJ/gallon = 35 MJ/liter

ecule of that substance,

 Modeling Flares
SCREEN3, by default, assumes specific values for the stack gas exit velocity and temperature, and calculates an effective stack diameter
based on the heat release rate.
This spreadsheet is specifically designed to assist the modeler when having to model flares as modified point sources. This is the
approach required in AERMOD since the model does not (at present) allow the modeling of flare sources when in the regulatory default mode.

Use the "onegas" worksheet for flares burning one gas. Use the "multigas" worksheet for flares burning two or more gases. When a range of heating
values is encountered, use the low end value (also called the net heating value, obtained by subtracting the latent heat of vaporization from the
gross, or higher, value). If H2S is being flared, the resulting SO2 emission rate may be estimated.

The equations used, and their derivation, are detailed in the "Background" worksheet.
Facility: Flares Modeled as Modified Point Sources
Project: (when emissions are, or can be approximated as, a single gas)

NOTES: 1) The effective stack height need not be used in the model as the conservative approach would be to ignore the increased stack height.
2) Enter all input values only in the yellow cells in one of the four columns. Values for model input are asterisked (**).

known flow rate unknown flow rated known flow rate unknown flow rated
unknown molecular wgt unknown molecular wgt known molecular wgt known molecular wgt Typical Heating Values (also see table on "multigas" worksheet)
EP # Gas Operation BTU/ft3
Description ethanol VOCs ethanol plant 200 - 300 e
ambient temperature (°F)a 70 70 70 70 NH3 nitrogen plant 359
ambient temperature (°K) 294 294 294 294 methane landfill 450 - 550, 896f
stack temperature (°F)b 1832 ** 1832 ** 1832 ** 1832 ** propane 2516, 2282e
stack temperature (°K) 1273 1273 1273 1273 ethane 1594e
volumetric flow rate (acfm) 27830 ** 27830 ** 27830 ** 27830 ** biogas lagoon 650 <--mostly methane
volumetric flow rate (scfm) 6411 6411 6411 6411
heating value (BTU/ft3) 32.24 32.24
↑OR↓ ↑OR↓ ↑OR↓ ↑OR↓ ↑OR↓ Radiation Heat Loss % from Literature
1.240E+07 1.240E+07 Gas % Loss
heat release rate (BTU/hr)
heat release rate (cal/sec) 8.681E+05 8.680E+05 8.681E+05 8.680E+05 natural gas 23
radiative heat loss (%)c 55 55 methane 16 - 26
net heat release rate (BTU/hr) 5.581E+06 5.580E+06 6.692E+06 6.691E+06 propane 33
net heat release rate (cal/sec) 3.907E+05 3.906E+05 4.684E+05 4.684E+05 butane 30
net heat release rate (J/sec) 1.635E+06 1.635E+06 1.961E+06 1.961E+06 ethylene 38
optional --> actual stack height (ft) 20.0 20.0 20.0 20.0 hydrogen 17
effective stack height (ft) 27.0 **(opt.) 27.0 **(opt.) 27.7 **(opt.) 27.7 **(opt.) methane + LPG 30
actual stack diameter (ft) 3.00 3.00 3.00 3.00 gas, MW about 17 25
effective stack diameter (ft) 2.03 ** 2.03 ** 2.22 ** 2.22 ** gas, MW about 40 40 (with steam)
actual stack exit velocity (fps) 65.62 65.62 65.62 65.62 gas, MW about 40 50 (without steam)
actual stack exit velocity (m/sec) 20.00 20.00 20.00 20.00 32.1 - 0.0418v; v = exit vel, m/sec
general equations:
molecular weight 92 92 [21exp(-0.00323v)] + 11; v = exit vel, m/sec

** Values for model input

a
Ambient temperature is set at the default value of 70°F. e
Based on a permit limit to flare gas with minimum net heating value
b
Default stack temperature is 1273°K = 1832°F. of 200 BTU/ft3 (no assist), or 300 BTU/ft3 (steam or air assist).
 Molecular Weightsg

Ammonia 17.0
Butane 58.1
Methane 16.0
Propane 44.1
Propylene 42.1
Ethane 30.1
Ethyl Alcohol (Ethanol) 46.1
Ethylene 28.1
Fluorine 38.0

Gasoline (approx.) 100 (approx.)

Hydrogen 2.0
Natural Gas 19.0
Carbon Monoxide 28.0
Hydrogen Sulfide 34.1

m net heating value

Facility: Flares Modeled as Modified Point Sources
Project: (when emissions are from multiple gases)

NOTES: 1) The effective stack height need not be used in the model as the conservative approach would be to ignore the increased stack height.
2) Enter all input values only in the yellow cells in one of the four columns. Values for model input are asterisked (**).

known flow rate unknown flow ratee known flow rate unknown flow ratee Heating Value Determinationf
unknown molecular wgt unknown molecular wgt known molecular wgt known molecular wgt Gas Component Gas Fraction Low Heat Value Low Heat Valueg Low Heat Value Fraction
EP # (kcal/m3) (BTU/ft3) (BTU/ft3)
Description
ambient temperature (°F)a 70 70 70 70 Hydrogen 2570 268
ambient temperature (°K) 294 294 294 294 Methane (CH4) 8570 894
stack temperature (°F)b 1832 ** 1832 ** 1832 ** 1832 ** Acetylene (C2H2) 0.3 13490 1408 422.3
stack temperature (°K) 1273 1273 1273 1273 Ethane (C2H6) 15300 1597
volumetric flow rate (acfm) 27830 ** 27830 ** 27830 ** 27830 ** Ethylene (C2H4) 14200 1482
volumetric flow rate (scfm) 6411 6411 6411 6411 Natural Gas 0.6 9090 949 569.2
heating value (BTU/ft3) 1047 <-from table 1047 <-from table 1047 <-from table 1047 <-from table Propane (C3H8) 22250 2322
heat release rate (BTU/hr) 4.027E+08 4.027E+08 4.027E+08 4.027E+08 Propylene (C3H6) 20900 2181
heat release rate (cal/sec) 2.819E+07 2.819E+07 2.819E+07 2.819E+07 Butane (C4H10) 29300 3058
radiative heat loss (%)c 55 55 Butylene-1 27900 2912
net heat release rate (BTU/hr) 1.812E+08 1.812E+08 2.173E+08 2.173E+08 C5+ Hydrocarbons 33010 3445
net heat release rate (cal/sec) 1.268E+07 1.268E+07 1.521E+07 1.521E+07 Carbon Monoxide (CO) 3010 314
net heat release rate (J/sec) 5.309E+07 5.309E+07 6.367E+07 6.367E+07 Hydrogen Sulfide (H2S) 0.1 5300 553 55.3
optional --> actual stack height (ft) 20.0 20.0 20.0 20.0
effective stack height (ft) 57.1 **(opt.) 57.1 **(opt.) 60.5 **(opt.) 60.5 **(opt.) Totals 1 1047
actual stack diameter (ft) 3.00 3.00 3.00 3.00
effective stack diameter (ft) 11.55 ** 11.55 ** 12.65 ** 12.65 ** f
Sources:
actual stack exit velocity (fps) 65.62 65.62 65.62 65.62 - The Engineering Tool Box @ http://www.engineeringtoolbox.com/gross-net-heating-values-d_420.html.
actual stack exit velocity (m/sec) 20.00 20.00 20.00 20.00 - Alberta Environment @ http://environment.gov.ab.ca/info/library/7223.xls
molecular weightd 92 92 g
Values adjusted from a standard temperature of 32°F (273°K) to 70°F (294°K).

** Values for model input SO2 Emission Rate Determinationh (due to H2S emissions)
a
Ambient temperature is set at the default value of 70°F. H2S --> SO2 conversion efficiency (%) 98 (default value is 98%)
b
Default stack temperature is 1273°K = 1832°F. stack temperature (°F) 1500 (default value is 1832 °F)
c
Default value is 55% (SCREEN3). This is conservative. volumetric flow rate (acfm) 4000
d
See molecular weights table on "onegas" worksheet; to compute the volume averaged SO2 emission rate (lb/hr) 1.05
g-values-d_420.html.
 Modeling Flares
Source: 1) Lakes Environmental Consultants' report: PROPOSED GUIDANCE FOR AIR DISPERSION MODELLING
@ http://www.ene.gov.on.ca/envision/techdocs/3614e02.htm
2) Texas Commission on Environmental Quality, TECHNICAL BASIS FOR FLARE PARAMETERS, 10Sept04

Flare sources can be treated in a similar way as point sources, except that there are buoyancy flux adjustments associated with radiative heat and heat losses.
The thermal effects of the flame with its lift and expansion of the plume require an effective stack height and effective stack diameter to be calculated.

Effective stack height:

Due to the high temperature associated with flares, the effective release height of the plume can be calculated as follows:

Hsl = Hs + (4.56x10-3)*((Hr/4.1868)^0.478) (m) (Q may be used in some references instead of H)

where:

Hsl = effective flare release height (m)

Hs = stack height above ground (m)
Hr = net heat release rate (J/s) = (1 - F)H (for a single gas)
H = total heat (sensible + radiated) release rate (J/s)
F = radiative loss factor (%)

The value of the radiative heat loss factor depends on the burning conditions of the flare. If there is information specific to the flare, it should be used. (SCREEN3 recommends
a default radiative heat loss factor of 55%. This is very conservative as most gases have values about half of that.)

Gathering the constants together and converting from meters to feet:

Hsl = Hs + (7.54x10-3)*(Hr^0.478) (ft)

Effective stack diameter:

The idea here is to adjust the stack diameter (holding other stack parameters constant, including the exit velocity) so that the point source (a virtual flare) will yield the same
predicted ambient pollutant concentrations as a flare (modeled as a flare). The effective stack diameter can be determined by equating the buoyancy flux from the flare
(hot source—Brigg’s equation 4.20) to the general buoyancy flux equation. Equivalently, this is making the flare plume height equal to that associated with a conventional stack.
The buoyancy flux from the flare is:

F = (g*Hr)/(π*ρ*T*Cp) = 2.59 *(10^-3)*Hr/T

where:

g = acceleration due to gravity = 9.81 (m/s2)

ρ = density of air = 1.2 (kg/m3)
T = air temperature (°K)
Cp = specific heat of dry air constant = 1004 (J/(Kg °K)

The buoyancy flux for stack releases is:

F = g*Vs*(rs^2)*(Ts-T)/Ts

where:

Vs = exit velocity (m/s)

rs = stack inner radius (m)
Ts = stack exit temperature (°K)

Setting these two equations equal, solving for the stack diameter (2*rs), substituting the above values for the constants, and converting from meters to feet:

ds = 0.1066*[(Ts/(T*(Ts-T))*(Hr/Vs)]^0.5 (ft)

Thus, using an estimated stack gas exit temperature and the actual exit velocity to the flare, an effective stack diameter can be calculated.

NOTE 1: All parameters in the above equations are in mks units. The calculation worksheets automatically convert input to these working units.
NOTE 2: The equations presented herein are equivalent to those presented by Trinity Consultants.
NOTE 3: An alternate way of computing the net heat release from the total heat release is:
Hr' = H[1 - 0.048(MW)^0.5]
where MW is the (mean) molecular weight of the flared gas. If the molecular weight is reasonably certain,
this is an alternative method of determining the effective stack parameters.

The Ideal Gas Law and emission rate determination

One form of the Ideal Gas Law is:

P = (ρRT)/M
or
ρ = (PM/RT)

where, using metric units:

ρ = mass density of gas (g/m3)

P = pressure of gas = 101.325 kPa
M = molecular weight of gas = 64.1 g/mole for SO2
R = gas constant = 8.314 J/mole/°K
T = temperature (°K)
The emission rate can thus be expressed as:

emis rate = gas flow rate x ρ

NOTE 1: The gas flow rate is converted to metric units (m3/sec), yielding an emission rate in g/sec. This is subsequently converted to English units (lb/hr).
NOTE 2: The gas flow and density should be expressed for the same standard temperature and pressure (STP) conditions. Herein, it is 70°F (294°K) and 1 atm (101.325 kPascal).