Agilent NGA RGA 

Reference Guide

Agilent Technologies
Notices
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Contents
1 Introduction

2 Calibration

3 Metric Calculations
Gas Mixture Heat Value (Mole) 10
Compressibility of the Gas Mixture 10
Mean Molecular Weight of the Gas Mixture 10
Relative Density of the Gas Mixture 11
Density of the Gas Mixture (Real Gas) 11
Gas Mixture Heat Value (Mass) 11
Gas Mixture Heat Value (Volume) 12
Wobbe Index 12
Amount of Carbon Dioxide 13
Optional: Water Correction (Saturated Case) 14
Optional: Air Correction 15

4 FPS Calculations
Normalization 20
Optional: Water Correction (Saturated Case) 20
Compressibility Factor of the Gas Mixture (Zsample) at Pb (Near
Atmospheric Pressure) and 60 °F 21
Heat Value of a Real Gas (BTU/ft3) (Volume) 21
Heat Value of a Real Gas (kcal/m3) (Volume) 21
Heat Value of a Real Gas (BTU/Gallon) (Volume) 22
Mean Molecular Weight of the Gas Mixture 22
Heat Value of a Real Gas (BTU/lbm) (Mass) 22
Gallons per 1000 CF of Real Gas 23
Relative Density of the Gas Mixture 23

NGA RGA Reference Guide 3

 Amount of Carbon Dioxide 23

5 Constants
Physical Constants 25
Gas Constant 27

6 References

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Agilent NGA RGA
Reference Guide

1
Introduction

The NGA RGA Add-on provides the ability to generate a custom

calculation file, a constants file, and a report template for a set
of conditions defined either in the GPA, ASTM, or ISO based
standards for Natural Gas. These calculations are based FPS
(Foot Pound Second) units or one the Metric (meter kilogram
Second) units. The FPS based calculations (Btu) may also be
called English or Engineering and are used by GPA, ASTM, and
other organizations in the United States. The Metric based
calculations are used by ISO and other European standards.
The NGA RGA Add-on requires a calibrated method and the
names in the calibrated method to match the names in the
Constants file.
There are five main calculations that must be made to enable all
of the calculations that are possible. The five calculations are
the:
• Superior heat value (molar)
• Inferior heat value (molar)
• Mean molecular weight
• Relative density
• Compression factor
Each of these calculations require compound specific physical
constants be used in the calculations.
Since the Add-on uses the calibrated method, the custom
calculator, and the constants file to calculate the various Energy
Values, the reference guide is organized in the following
manner;
Calibration
Calculation
• Metric (kJ/m3, kJ/mole, kJ/kg, Wobbe Index)
• FPS (Btu/ft3, Btu/mole, Btu/lbm and GPM)
Constants
Gas constant
References

Agilent Technologies 5
1 Introduction

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 Agilent NGA RGA
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2
Calibration
While most of the gas mixtures used for calibration are reported
as Mole %, there are gas standards also available as Weight %
and Volume %. It is then necessary to convert from Weight % or
Volume % to mole % for the heating value calculations.
The conversion from Weight % to Mole % is given by:
Mole% i non-norm = Weight%i/MWi (1)

Where:
MWi = molecular weight of compound i (g/mole for Metric and
lb/lbmole for FPS)
The conversion form Volume % to Mole % is given by:
Mole% i non-norm = Vol%i/Zi (2)

Where:
Zi = compression factor of compound i at metering temperature
t2 for Metric and 60°F for FPS)

The calculations use the appropriate constants for the compound

from the physical constants tables to convert to Mole %.

Zi and MWi are read from constant file, if the data is not found for one of
NOTE
the compounds the whole computations are in error.

Agilent Technologies 7
2 Calibration

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3
Metric Calculations
The Metric calculations are primarily based on ISO 6976 and
follows the following notation.
P1, t1: combustion pressure and temperature

P2, t2: metering pressure and temperature

A temperature in lowercase indicate a temperature in °C, if we
use uppercase it indicate a temperature in °K.
P1 = P2 = Pb = 101325 Pa

The Metric calculation includes the provision for calculating the real,
the saturated, and air corrected values for a Natural Gas mixture.

Figure 1 The portion of the Metric_NGA_Report showing the calculated totals for gas mixture using the Metric
based calculations

The following calculations are used. Section numbers are from

ISO 6976: 1995 with Cor. 2: 1997(E) and Cor.3:1999(E) Natural
gas - Calculation of calorific values, density, relative density and
Wobbe Index from composition. The air correction has a
separate reference.

Agilent Technologies 9
3 Metric Calculations

Gas Mixture Heat Value (Mole)

Section 5 of ISO 6976.
Hsup, mole=0 xi × Hsup, mole i (3)

Where:
Hsup, mole = The gas mixture superior heat value (kJ/mol)

Hsup, mole i = The compound i superior heat value (kJ/mol) at

combustion T° t1
The same computation is applied for Hinf, mole using the constant Hinf,mole i
NOTE

Compressibility of the Gas Mixture

Section 4.2 (real case) of ISO 6976.

Z mix = 1 –    x i  bi   2 (4)

Where:
Zmix = Compressibility of the gas mixture

`bi = Summation factor of compound i at metering T° t2

In the constant file we have `bi called summation factor.

NOTE

Mean Molecular Weight of the Gas Mixture

Section 6.1 of ISO 6976.
MW = 0 xi × MWi (5)

Where:
MW = Mean molecular weight of the gas mixture (g/mol)
MWi = Molecular weight of the compound i (g/mol)

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 Metric Calculations 3

Relative Density of the Gas Mixture

Section 8.2 (real gas) of ISO 6976.
d = (MW/MWair) × (Zair/Zmix) (6)

Where:
d = relative density of the gas mixture
MW = Mean molecular weight of the gas mixture (g/mol)
MWair = Molecular weight of air (28.9626 g/mol)
Zair = Compressibility factor at metering T° t2 (Z(Compress) in
the constant file)
Zmix = Compressibility of the gas mixture

Density of the Gas Mixture (Real Gas)

Section 8.2 (real gas) of ISO 6976.
r = (Pb/(R × T2)) × (MW/1000)/Zmix (7)

Where:

r = The density of the gas mixture (kg/m3)

R = (Gas constant) = 8,3144621 J/(mol × K) = (Pa × m3)/(mol × K)
T2 = Metering T(°C) + 273.15 = Metering T(K)
Pb = 101325 Pa
Zmix = Compressibility of the gas mixture
MW/1000 = Mean molecular weight or molar mass of the gas
mixture (kg/mol)

Gas Mixture Heat Value (Mass)

Section 6.1 and 6.2 of ISO 6976.
Hsup, mass = Hsup, mole/MW (8)

Where:
Hsup, mass = The gas mixture superior heat value (kJ/g);

Hsup, mole = The gas mixture superior heat value (kJ/mol);

MW = Mean molecular weight or molar mass of the gas mixture (g/mol)

The same computation is applied for Hinf, mass using Hinf,mole

NOTE

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3 Metric Calculations

Gas Mixture Heat Value (Volume)

Section 7.2 of ISO 6976.
Hsup, volume = Hsup, mole × (Pb/RT2)/Zmix (9)

Where:

Hsup, volume = The gas mixture superior heat value (kJ/m3);

Hsup, mole = The gas mixture superior heat value (kJ/mol);

Pb = 101325 Pa;

R = (Gas constant) = 8,3144621 J/(mol × K) = (Pa × m3)/(mol × K);

T2= Metering temperature t2(°C) + 273.15 = Metering T(K);

Zmix = Compressibility of the gas mixture

The same computation is applied for Hinf, volume using Hinf, mole.
NOTE

Wobbe Index
Section 8.2 of ISO 6976.

W sup = H sup, volume   d  (10)

Where:

Wsup = Wobbe index superior for the gas mixture (kJ/m3);

Hsup, volume = The gas mixture superior heat value (kJ/m3);

d = Relative density of the gas mixture

The same computation is applied for Winf using Hinf,volume.

NOTE

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 Metric Calculations 3

Amount of Carbon Dioxide

Volume for 1 mole of an ideal gas

Videal = n × R × T2/Pb (11)

Where:

Videal = Volume (m3) of 1 mole of an ideal gas at the metering

temperature and the base pressure
n = 1 mol

R = (Gas constant) = 8,3144621 J/(mol × K) = (Pa × m3)/(mol × K)

T2 = Metering T(°C) + 273.15 = Metering T(K)

Pb = 101325 Pa

Volume for 1 mole of the gas mixture

Vreal = Videal × Zmix (12)

Where:

Vreal = Volume (m3) of 1 mole of the gas mixture at the metering

temperature and the base pressure
Videal = Volume (L) of 1 mole of an ideal gas calculated in
Equation 11.
Zmix = Compressibility of the gas mixture

Amount of CO2 produce during the combustion of 1 m3 of the gas mixture

Total CO2 (g) = 0xi × (CN)i × MWCO2/ Vreal (13)

Where:
(CN)i = Number of carbon in the compound i

MWCO2 = 44.01 g/mol

Vreal = Volume (m3) of 1 mole of the gas mixture calculated in

Equation 12.
The calculation of the saturated values require the
renormalization of the mole fraction.

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3 Metric Calculations

Normalization
xi, norm, dry = (Mole%i, non-norm) / (0Mole%i, non-norm) (14)

Where:
xi, norm, dry = The mole fraction for the compound i (without air
correction and water correction)
Mole%i, non-norm = Mole% calculated in Chapter 2, “Calibration”

Optional: Water Correction (Saturated Case)

We are using the preferred computation described in Annex F
section F.2 of ISO norm.

Add water to the compound list

xH2O, non-norm = Pw/Pb (15)

Where:
Pw = Water partial pressure (in Pa) at t2 (°C)

610.5 Pa 0°C
1705 Pa 15 °C
2338 Pa 20 °C
3167 Pa 25 °C

Pb = 101325 Pa

Normalization
xi, saturated = xi, norm, dry × (Pb-Pw)/Pb (16)

Where:
xi, saturated = The mole fraction for compound i after water
correction
xi, norm, dry = The mole fraction for the compound i (without air
correction and water correction)
For the following computation, xi will be the mole fraction of the
compound i dry or saturated depending on the case we want to
compute.

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 Metric Calculations 3

Optional: Air Correction

Discussed in ISO 6974-3 Standard, [Natural gas - Determination
of composition with defined uncertainty by gas chromatography
Part 3: Determination of hydrogen, helium, oxygen, nitrogen,
carbon dioxide and hydrocarbons up to C8 using two packed
columns] defines a means to correct for air in the sample by
adjusting the nitrogen concentration for the air. See section 7.1.2.

Computation of the new value for xN2 and xO2 if xO2 > 0.02
xN2, air removed = xN2 - (78/21) × xO2 (17)

Where:
xN2, air removed = The mole fraction of N2 without the part of N2
from the air
xN2 = The mole fraction of N2 calculated previously (dry or
saturated depending on the correction the user chose)
xO2 = The mole fraction of O2 calculated previously (dry or
saturated depending on the correction the user chose)
xO2, air removed = 0 (18)

Computation of the new value for xN2 and xO2 if xO2 < 0.02

If the column used is a sieve 13x:

xN2, air removed = xN2 - (78/21) × xO2 (19)

Where:
xN2, air removed = The mole fraction of N2 without the part of N2
from the air
xN2 = The mole fraction of N2 calculated previously (dry or
saturated depending on the correction the user chose)
xO2 = The mole fraction of O2 calculated previously (dry or
saturated depending on the correction the user chose)
xO2, air removed = 0 (20)

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3 Metric Calculations

If the column used is a Porapak:

xN2, air removed = xN2 - (100/21) × xO2 (21)

Where:
xN2, air removed = The mole fraction of N2 without the part of N2
from the air
xN2 = The mole fraction of N2 calculated previously (dry or
saturated depending on the correction the user chose)
xO2 = The mole fraction of O2 calculated previously (dry or
saturated depending on the correction the user chose)
xO2, air removed = 0 (22)

If the column used is neither a sieve 13x, nor a Porapak:

xN2, air removed = xN2 - (78/21) × xO2 (23)

Where:
xN2, air removed = The mole fraction of N2 without the part of N2
from the air
xN2 = The mole fraction of N2 calculated previously (dry or
saturated depending on the correction the user chose)
xO2 = The mole fraction of O2 calculated previously (dry or
saturated depending on the correction the user chose)
xO2, air removed = 0 (24)

Correction for all the mole fractions

xi, air corrected = 100 × (xi / 0 xi + xN2, air removed + xO2, air
removed) (25)

Where:
xi, air corrected = The mole fraction of compound i (except N2 and
O2) corrected for the air

xi = The mole fraction of compound i (except N2 and O2)

calculated previously (dry or saturated depending on the
correction the user chose)
xN2, air removed = The mole fraction of N2 calculated in
Equation 17, Equation 19, or Equation 21.

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 Metric Calculations 3

xO2, air removed = 0 (26)

xN2, air corrected = 100 × (xN2, air removed/ 0 xi + xN2, air removed +
xO2, air removed) (27)

Where:
xN2, air corrected = The mole fraction of N2 corrected for the air

xO2, air corrected = 0 (28)

In the other formulas, xi will refer to the mole fraction of the

compound i (including O2 and N2) with or without air
correction and with or without water correction depending on
which corrections has been applied.

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3 Metric Calculations

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4
FPS Calculations
FPS (Foot Pound Second) provides the means to calculate using
English based units. This provides the calculations also known
as Engineering based calculations, which are used by the GPA
and ASTM Natural Gas Standards.
The FPS calculation includes the provision for calculating the
real and the saturated values for a Natural Gas mixture. The
following calculations are used. If a section number is noted, it
is from GPA Standard 2172.09 Calculation of Gross Heating
Value, Relative Density, Compressibility and Theoretical
Hydrocarbon Liquid Content for Natural Gas Mixtures for
Custody Transfer. The standard uses the term Molar Mass. The
calculations described use the term Molecular Weight.

Figure 2 The portion of the FPS_NGA_Report showing the calculated totals for gas mixture using the FPS
based calculations.

Agilent Technologies 19
4 FPS Calculations

Normalization
xi, norm = (Mole%i, non-norm)/ (0Mole%i, non-norm) (29)

Where:
xi, norm = The mole fraction for the compound i (without air
correction)
Mole% i, non-norm = The calculation of Mole% from Volume% or
Weight%. See Chapter 2, “Calibration” .

Optional: Water Correction (Saturated Case)

The mole fraction of water is calculated from the vapor pressure of water
and the base pressure.
xH2O, non- norm = PH2O/Pb (30)

Where:
PH2O = Vapor pressure of water (psia) at 60 °F = 0.25640 psia.

Pb = metering pressure (psia)

Normalization
xi, saturated = xi,norm × (P2-Pw)/P2 (31)

Where:
xi, saturated = The mole fraction for compound i after water
correction
xi, norm, dry = The mole fraction for the compound i (without air
correction and water correction)

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 FPS Calculations 4

Compressibility Factor of the Gas Mixture (Zsample) at Pb (Near

Atmospheric Pressure) and 60 °F
From GPA 2172 Section 7.3.
For the following computation, xi will be the mole fraction of the
compound i dry or saturated depending on the case we want to
compute.
Zsample = 1 - Pb × (0xi × bi)² (32)

Where:
Zsample = Compressibility factor of the gas at Pb

bi = The summation factor of compound i at 60 °F (psia-1)

Pb = Base pressure (psia)

Heat Value of a Real Gas (BTU/ft3) (Volume)

From GPA 2172 Section 7.1 + Annex A2
Hgross,v(Pb) = 0(xi × Hgross,v,i(60°F) × (Pb/14.696))/Zsample (33)

Where:

Hgross,v,i(60°F) = Gross heat value (BTU/ft3) of compound i at 60°F

Pb = Base pressure (psia)

Zsample = Compressibility factor of the gas at Pb

The same computation is applied for Hnet, v using Hnet, v, i.

NOTE

Heat Value of a Real Gas (kcal/m3) (Volume)

To convert BTU/ft3 into kcal/m3:

Hv, kcal/m3 = (0.25/0.0283169) × Hv, BTU/ft3 (34)

Where:
1 BTU = 0.25 kcal

1 ft3 = 0.0283169 m3

NGA RGA Reference Guide 21

4 FPS Calculations

Heat Value of a Real Gas (BTU/Gallon) (Volume)

From GPA 2172 Section 7.4.

Hvid(BTU/gal) = 0LFi × HIid(BTU/gal)/LFtotal (35)

Liquid Fraction LFi = xi × MWi/dl (36)

where
xi = mole fraction of compound i
MWi = Molecular weight of compound i
dl = Absolute density lbm/gal
total liquid fraction LFtotal = 0LFi (37)

The same computation is applied for Hnet, vg using Hnet, vg, i.

NOTE

Mean Molecular Weight of the Gas Mixture

MW = 0 xi × MWi (38)

Where:
MW = Mean molecular weight of the gas mixture (g/mol)
MWi = Molecular weight of the compound i (g/mol)

Heat Value of a Real Gas (BTU/lbm) (Mass)

From GPA 2172 Section A.2.
Hgross,m(Pb) = 0(xi × Hgross, m, i(60°F) × MWi)/ MWm (39)

Where:
Hgross, m, i(60°F) = Gross heat value (BTU/ lbm) of compound i at 60°F
Pb = Base pressure (psia)
Zsample = Compressibility factor of the gas at Pb
Mi = The molecular mass of compound i
MWi = molecular mass of compound i
MWm = Mean molecular weight of the gas mixture (g/mol)
The same computation is applied for Hnet, m using Hnet, m, i.
NOTE

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 FPS Calculations 4

Gallons per 1000 CF of Real Gas

This is the Liquid Volume Equivalent expressed as Gallons per
1000 cubic feet of gas:
GPM = (0((xi × 1000) × Pb)/(Vi × 14.696))/Zsample (40)

Where:
Vi = Cubic feet per gallon of compound i

Pb = Pressure base (psia)

Zsample = Compressibility factor of the gas at Pb

Relative Density of the Gas Mixture

G = (MW/MWair) × (Zair/Zsample) (41)

Where:
G = Relative density real
MW = Mean molecular weight of the gas mixture (g/mol)
MWair = Mean molecular weight of air (g/mol) = 28.693 g/mol

Zair = Compressibility factor of air at 60°F = 0.9996

Zsample = Compressibility factor of the gas at Pb

Amount of Carbon Dioxide

Volume for 1 mole of an ideal gas:

Videal = n × R × T/(Pb/14.696) (42)

Where:
Videal = volume (L) of 1 mole of an ideal gas at the metering
temperature and the base pressure
n = 1 mol
R = (Gas constant) = 0.082057 L × atm/K × mol
T = metering T(K) = 288.6 K (= 60°F)
Pb = metering pressure (psia)

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4 FPS Calculations

Volume for 1 mole of the gas mixture

Vreal = Videal × Zsample (43)

Where:
Vreal = volume (L) of 1 mole of the gas mixture at 60°F and the
base pressure
Videal = volume (L) of 1 mole of an ideal gas calculated in Equation 41

Zsample = Compressibility of the gas mixture

Amount of CO2 produce during the combustion of 1000 ft3 of the gas
mixture
Total CO2 (g) = 0xi × (CN)i × (MWCO2/453.5924) ×
(28316.85/Vreal) (44)

Where:
(CN)i = The number of carbon in the compound i

MWCO2 = 44.01 g/mol

Vreal = The volume (L) of 1 mole of the gas mixture calculated in

Equation 42

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5
Constants

Physical Constants
The physical constants table for the Metric calculations has
entries for the following physical constants:
• Superior heating value for 0, 15, 20, and 25
• Inferior heating value for 0, 15, 20, and 25
• `bi for 0, 15, and 20
• Molecular weight
• Compression factor for 0, 15, and 20
• Carbon number
The compound list includes compounds from ISO 6976, GPA
2145-09, and GPA 17T. The compounds from GPA 17T are listed
at 15°C. The Heating values and Compressibility Factors are
converted to the other temperatures using Annex J (Approximate
conversion factors between reference states) in ISO 6976.
The physical constants table for the FPS calculations has entries
for the following physical constants:
• Gross heating value (BTU/ft3, BTU/lb, BTU/gal)
• Net heating value (BTU/ft3, BTU/lb, BTU/gal)
• Summation factor
• Molecular weight
• Compression factor
• Carbon number °C
• Hydrogen number
• Boiling point
• ft3gas/lb
• ft3/gal liq
• Density liquid
• Lbs/1000 ft3
• Critical temperature, critical pressure, critical volume, and
accentric factor

Agilent Technologies 25
5 Constants

Annex L (ISO 6976: 1995 with Cor. 2: 1997(E) and Cor.3:

1999(E)) lists the Superior (Gross) and Inferior (Net) heating
values for the components of natural gas at 60°F. These values
were used as the basis for calculation of the different gross
heating values with the appropriate conversion factors for the
unsaturated compounds listed in the ISO standard.
The values for ethylene and propylene are from GPA 2145-09.
BTU/gal was not calculated for Ethylene since 60°F is above the
critical temperature and an estimate is not provided by
GPA2145-09. The Compressibility Factor was obtained from the
NIST REFPROP (NIST Standard Reference Database 23 Version
9.1) if possible. If not the compressibility was calculated using
the procedure outlined in Annex E.2 (ISO 6976: 1995 with Cor.
2: 1997(E) and Cor.3:1999(E)) using the Pitzer-Curl correlation.
The ideal gas density is calculated. The density of the
component at 60°F was determined using either NIST
REFPROP or the NIST/TRC Web Thermo Tables (WTT)
Professional Edition (Version 2-2012-1-Pro). From the Idea gas
density and the liquid density the other factors can be
calculated with the appropriate conversion factors.
The physical constants for cis-2-pentene, trans-2-pentene, and
2-methyl-2-butene were obtained from ASTM DS 4A Physical
Constants of Hydrocarbons and Non-Hydrocarbon Compounds
and the 2nd Edition. The Compressibility Factor for these
compounds were calculated using the Pitzer-Curl correlation.

26 NGA RGA Reference Guide

 Constants 5

Gas Constant
The Committee on Data for Science and Technology (CODATA)
periodically updates the values for the Gas Constant.
The value used in ISO 6976 -1995 gives the value of the Molar gas
constant in Annex B, section B.1 as 8.314510 ± 0.000070 J mol-1 K-1.
This is from CODATA Bulletin No. 63 (Nov 1986)
[Link]
GPA 2145 -09 gives the value of the Molar gas constant as 8.314
472 ± 0.000015 J mol-1 K-1. This is the value is given in the:
• 1998 update [Link]
• 2002 update [Link]
• 2006 update [Link]
The molar gas constant was update in 2010 to a value of
8.3144621 ± 0.0000075 J mol-1 K-1.

Year Value Link

1986 8.314510 ± 0.000070 J mol-1 K-1 [Link]
1998 [Link]
2002 [Link]
2006 8.314 472 ± 0.000015 J mol-1 K-1 [Link]
2010 8.3144621 ± 0.0000075 J mol-1 K-1

The following Gas Constant Values are used in the calculations:

For the Metric based calculations the value is 8.3144621. For the
FPS calculation the gas constant was converted to L atm mol-1 K-1
for a value of 0.082057361 L atm mol-1 K-1. If the gas constant
value needs to be changed, it can be edited by opening the ccf
file in the custom calculator and modifying the value.

If the most recent value is needed, it can be accessed from the

NIST Reference on Constants, Units, and Uncertainty web page
at:

[Link]

NGA RGA Reference Guide 27

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6
References
GPA Standard 2145-09 Table of Physical Properties for
Hydrocarbons and Other Compounds of Interest to the Natural
Gas Industry.
GPA Standard 2172-09 Calculation of Gross Heating Value,
Relative Density, Compressibility and Theoretical Hydrocarbon
Liquid Content for Natural Gas Mixtures for Custody Transfer.
GPA TP17 (1998 Revision) Table of Physical Properties of
Hydrocarbons for Extended Analysis of Natural Gases.
ISO 6976: 1995 with Cor. 2: 1997(E) and Cor.3:1999(E) Natural
gas - Calculation of calorific values, density, relative density and
Wobbe Index from composition.
ASTM D3588-98 (Reapproved 2011) Standard Practice for
Calculating Heat Value, Compressibility Factor, and Relative
Density of Gaseous Fuels.
ASTM DS 4A Physical Constants of Hydrocarbons and
Non-Hydrocarbon Compounds, 1971
ASTM DS 4B Physical Constants of Hydrocarbons and
Non-Hydrocarbon Compounds, 2nd Edition, 1987
NIST Standard Reference Database 23 Version 9.1
NIST/TRC Web Thermo Tables (WTT) Professional Edition
(Version 2-2012-1-Pro)
Updates and other reference Material are available at:
• [Link]
• [Link]
• [Link]

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