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Method for Calculating the Gross Calorific Value of Coal on a moist Ash-Free
Basis

Article  in  Solid Fuel Chemistry · September 2018

DOI: 10.3103/S0361521918030023

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 ISSN 0361-5219, Solid Fuel Chemistry, 2018, Vol. 52, No. 5, pp. 279–288. © Allerton Press, Inc., 2018.
Original Russian Text © Ya.S. Balaeva, D.V. Miroshnichenko, Yu.S. Kaftan, 2018, published in Khimiya Tverdogo Topliva, 2018, No. 5, pp. 3–12.

Method for Calculating the Gross Calorific Value

of Coal on a Wet Ash-Free Basis
Ya. S. Balaeva*, D. V. Miroshnichenko**, and Yu. S. Kaftan
Ukrainian State Research Institute for Carbochemistry (UKhIN), Kharkov, 61023, Ukraine
*e-mail: ys.balaeva@gmail.com
**e-mail: dvmir79@gmail.com
Received March 30, 2017

Abstract—The statistical analysis of relationships between the composition, structure, and property charac-
teristics of 63 test samples of coal from Ukraine, the Russian Federation, and countries outside the former Soviet
Union was carried out. It was found that it is reasonable to separately predict the gross calorific value on a wet ash-
free basis for the coals from Ukraine, the Russian Federation, and countries outside the former Soviet Union
because of the different degrees of petrographic homogeneity of the test coals. Quantitative relationships were
developed in order to forecast the gross calorific values on a wet ash-free basis with a required accuracy based on
2 the yields of volatile substances, middle random vitrinite reflectance values, and total fusainized components sep-
arately for Ukraine, the Russian Federation and countries outside the former Soviet Union.

Keywords: gross calorific value, vitrinite reflectance, coal

DOI: 10.3103/S0361521918030023

In accordance with GOST (State Standard) 28663-90:
Brown Coals (Low Rank Coals). Codification [1], a
boundary between brown coals (low rank coals) and
black coals (medium rank coals) is established based
on the vitrinite reflectance (Ro) and the gross calorific
value on a moist ash-free basis (Qsaf ).
According to GOST (State Standard) 25543–2013:
Brown Coals, Hard Coals, and Anthracites. Classification
According to Genetic and Technological Parameters [2],
fossil coals are subdivided into brown and black coals
depending on the average vitrinite reflectance and the
heat of combustion on a moist ash-free basis (Table 1).
In DSTU (State Standard of Ukraine) 3472–96:
Brown and Black Coals and Anthracite. Classification
[3], the heat of combustion on a moist ash-free basis
along with the vitrinite reflectance and the yield of
volatile substances is also used for the separation of
coals into brown and black coals (Table 2).

Table 1. Types of fossil coals

Heat of combustion on a wet Yield of volatile substances on
Coal Vitrinite reflectance (Ro), %
ash-free basis (Qsaf ), MJ/kg a dry ash-free basis (Vdaf), %
brown coal <0.60 <24 –
black coal from 0.40 to 2.59 24 or higher 8

Table 2. Classification of coals

Classification indices
Yield of volatile
Coal grade Vitrinite substances on a dry Plastic layer Roga index (RI), Heat of combustion,
reflectance (Ro), % ash-free basis (Vdaf), thickness (y), mm units (Qsdaf ), MJ/kg
%
brown <0.40 from 50 to 70 – – <24.0*
long-flame from 0.40 to 0.60 from 35 to 50 <6 – –
··· ··· ··· ··· ··· ···
lean from 1.60 to 2.59 from 8 to 18 <6 <13 from 35.2 to 36.5
anthracite От 2.60 до 5.59 <8 – – <35.2
* Heat of combustion on a wet ash-free basis Qsaf .

279
 280 BALAEVA et al.

Table 3. Relationships between the gross calorific values of Table 4. Pair correlation coefficients of and the values of
1 the Donets coals |r| n  1 for the relationships in question
Gross calorific value, MJ/kg
Characteristic r |r| n  1
Qsdaf Qsaf –0.950 7.480
Wa, %
>34.33 >32.45 Ad, % 0.119 0.937
33.29–34.33 30.14–32.45 1.921
31.19–33.29 25.54–30.14 Std , % 0.244

<31.19 <25.54 Vdaf, % –0.675 5.315

Wmax, % –0.937 7.378
Ro, % 0.756 5.953
Based on a normative document [4], the gross cal-
Vt, % –0.027 0.213
orific value on a moist ash-free basis Qsaf is calculated Sv , % 0.057 0.449
from the formula
I, % 0.065 0.512
100  Wmax
af
L, % –0.290 2.283
Qsaf  Qsdaf , (1)
100 OK, % 0.067 0.528
Cdaf, % 0.790 6.220
where Qsaf is the gross calorific value of coal on a moist
Hdaf, % –0.521 4.102
ash-free basis, MJ/kg; Qsaf is the gross calorific value
af Ndaf, % –0.464 3.654
of coal on a dry ash-free basis, MJ/kg; and Wmax is the
maximum moisture capacity of coal on a moist ash- Odaf –0.833 6.559
d ,%
free basis, %. 7.701
Qsdaf , MJ/kg 0.978
In turn, the maximum moisture capacity of coal on
a moist ash-free basis is calculated from the following сА 0.730 5.748
formula: fa 0.704 5.543
100 , Car, % 0.709 5.583
Wmax  Wmax
af
(2)
100  A
r  0.692 5.449
where Wmax is the maximum moisture capacity of
coal, %, and Ar is the ash content of coal on an as results of studies on the prognostication of the gross
received basis, %. calorific values on a moist ash-free basis for the back
An analysis of published data showed the absence coal of Ukraine, the Russian Federation, and coun-
of recent systematic studies oriented to the forecast of tries outside the former Soviet Union.
the gross calorific value of coals on a moist ash-free basis
based on the characteristics of their structure, composi- Previously, Balaeva [6] carried out a comprehen-
tion, and properties. Based on studying a relationship sive study of 63 test samples of coal concentrates from
between the heats of combustions of Donbass coals, Ukraine, former Soviet Union (primarily from the
Dvuzhil’naya [5] developed the following equation: Russian Federation), and countries outside the former
Soviet Union.
Qsaf  2.275Qsdaf  45.65, (3) Taking into account a relationship established ear-
where Qsaf
is the gross calorific value of coal on a moist lier between the characteristics of the genetic and
technological properties of coals and their heats of
ash-free basis, MJ/kg; Qsdaf is the gross calorific value combustion [7, 8], we calculated the coefficients of
of coal on a dry ash-free basis, MJ/kg. pair correlation between the characteristics of coal
Table 3 summarizes the gross calorific values on a properties and the heats of combustion on a moist ash-
dry ash-free basis and a moist ash-free basis for free basis for the sample examined (Table 4).
1 Donets coals based on the study performed by Dvu-
The significance of the correlation coefficients was
zhil’naya [5]. The data in Table 3 indicate that the checked by a comparison of the absolute value of the
gross calorific values on a moist ash-free basis are
lower than the corresponding gross calorific values on product |r | n  1 with its critical value (H) at a speci-
a dry ash-free basis. fied reliability of the conclusion (P) [9]. The critical
value of H for 63 test samples was 3.183 at the proba-
Because the grouping of coking coals imported to
bility P = 0.999.
Ukraine (predominantly from the Russian Federa-
tion) into brown or black coal is a problem of consid- Table 4 summarizes the values of the above product
erable current importance, in this work, we report the for each of the studied relationships.

SOLID FUEL CHEMISTRY Vol. 52 No. 5 2018

 METHOD FOR CALCULATING THE GROSS CALORIFIC VALUE 281

af
Q s ,MJ/kg
36

35

34

33

32

31
0 1 2 3
a
W,%

Fig. 1. Relationship between the values of Qsaf and Wa.Key:Qsaf, MJ/kg.

Comparing the actual and tabulated values, we can
state that there is a correlation between Qsaf and Wa,
d , O s , cA, fa, Car, or  with a
Vdaf, Wmax, Ro, Cdaf, Odaf daf
probability of 0.999.
Figures 1–11 graphically show the dependences of
the gross calorific value on a moist ash-free basis upon
the characteristics of the properties of coals.
The analysis of the above interrelations makes it
possible to establish that they are predominantly qua-
dratic. The correlations with analytical moisture,
maximum moisture capacity, and gross calorific value
on a dry ash-free basis (Figs. 1, 2, and 7, respectively),
which exhibited the linear dependence, are the excep-
tion.
The statistical analysis of the studied relationships
showed that the satisfactory forecast precision of the
gross calorific value on a moist ash-free basis, which
ensured the correctness of forecast at a standard dis-
crepancy level (  0.3 MJ/kg), was achieved with the
use of the following properties of coals: Wa, Wmax, and
Qsdaf ( = 0.29, 0.26, and 0.20 MJ/kg, respectively).
Table 5 summarizes these quantitative relationships
and their statistical estimation.

Table 5. Mathematical equations and the statistical estimation of the relationships between Qsaf and the properties of coals
from Ukraine, the Russian Federation, and countries outside the former Soviet Union
Statistical estimation

, MJ/kg
Equation
Equation
number countries
r D, %
Russian outside the
total sample Ukraine
Federation former
Soviet Union

(4) Qsaf  1.7501W a  36.65 0.95 90.2 0.29 0.30 0.36 0.23

(5) Qsaf  0.938Wmax  37.10 0.96 91.3 0.26 0.27 0.31 0.19

(6) Qsaf  1.459Qsdaf  17.36 0.98 95.6 0.20 0.15 0.29 0.10

SOLID FUEL CHEMISTRY Vol. 52 No. 5 2018

282 BALAEVA et al.

af
Q s ,MJ/kg
36

35

34

33

32

31
1 2 3 4 5 6
Wmax, %

Fig. 2. Relationship between the values of Qsaf and Wmax.

af
Q s ,MJ/kg
36

35

34

33

32
15 20 25 30 35 40 45
daf
V ,%

Fig. 3. Relationship between the values of Qsaf and Vdaf.

For the other parameters that characterize the
d , cA, fa, Car, and ),
properties of coals (Ro, Cdaf, Odaf
the forecast precision was within a range of  = 0.39–
0.41 MJ/kg. The use of the yield of volatile substances
for the prognostication ensured a higher accuracy than
that obtained for the above characteristics ( =
0.34 MJ/kg); however, it did not ensure a desired
value of  equal to 0.3 MJ/kg. The high forecast preci-
sion with the use of Wmax and Qsdaf can be adequately
explained because these characteristics are used for
the calculation of Qsaf according to a standard of
Ukraine [10]. As for the value of Wa, it is well known
that it is closely related to the value of Wmax [11], which
in turn is responsible for the high forecast precision of
Qsaf with its use.

SOLID FUEL CHEMISTRY Vol. 52 No. 5 2018

 METHOD FOR CALCULATING THE GROSS CALORIFIC VALUE 283

af
Q s ,MJ/kg
36

35

34

33

32
0.6 0.8 1.0 1.2 1.4 1.6
R0, %

Fig. 4. Relationship between the values of Qsaf and R0.

af
Q s ,MJ/kg
36

35

34

33

32
82 84 86 88 90 92
Cdaf, %

Fig. 5. Relationship between the values of Qsaf and Cdaf.

The coefficients of determination give the inte-
grated assessment of the degree of dependence of the
characteristics in question. Because mathematical
equations and statistical estimations were obtained for
the total sample, we calculated the mean-square devi-
ations of the calculated data from the actual data sep-
arately for the coals of Ukraine, the Russian Federa-
tion, and countries outside the former Soviet Union
(Table 5).
Upon analyzing the mean-square deviations, we
can make the conclusion that the forecast of the gross
calorific value on a moist ash-free basis according to
the formulas developed for coals from the Russian
Federation was the worst: the mean-square deviations
of calculated values from actual ones were maximal,
and they exceed a permissible determination error
(0.3 MJ/kg) in some cases.
On the contrary, the forecast performed according
to the formulas developed for the coals of Ukraine and
countries outside the former Soviet Union was
achieved with smaller and approximately identical
errors.

SOLID FUEL CHEMISTRY Vol. 52 No. 5 2018

284 BALAEVA et al.

af
Q s ,MJ/kg
36

35

34

33

32

31
1 3 5 7 9
daf
Od ,%

Fig. 6. Relationship between the values of Qsaf and Oddaf.

af
Q s ,MJ/kg
36

35

34

33

32

31
33 34 35 36 37
daf
Q s ,MJ/kg

Fig. 7. Relationship between the values of Qsaf and Qsdaf .

It is most likely that this circumstance can be
explained by the earlier noted petrographic heteroge-
neity [12] of the test coal samples from the Russian
Federation.
Taking into account the above consideration, we
believe that it is reasonable to develop mathematical
equations separately for each group of coals from
Ukraine, the Russian Federation, and countries out-
side the former Soviet Union. Coals from the Russian
Federation were separated in a particular group as pre-
dominantly petrographically heterogeneous coals.
The differentiation between the petrographically
homogeneous coals from Ukraine and countries out-
side the former Soviet Union is based on the results
obtained earlier in a study that showed essential differ-
ences in the composition (Cdaf, Hdaf, and Odaf), struc-
tural characteristics (Car, fa, , and B), and technolog-
ical properties (Ro, Vdaf, y, and Qdaf) for Donets and 1
American coals of the same rank. The main reason for

SOLID FUEL CHEMISTRY Vol. 52 No. 5 2018

 METHOD FOR CALCULATING THE GROSS CALORIFIC VALUE 285

af
Q s ,MJ/kg
36

35

34

33

32
0.73 0.75 0.77 0.79 0.81
cA

Fig. 8. Relationship between the values of Qsaf and cA.

af
Q s ,MJ/kg
36

35

34

33

32
0.60 0.62 0.64 0.66 0.68 0.70 0.72 0.74 0.76
fa

Fig. 9. Relationship between the values of Qsaf and fa.

differences consists in different of degrees of reduction
of these coals [13].
Table 6 gives mathematical equations and their sta-
tistical estimation for the individual groups of coals.
These data indicate that the development of equations
for the individual groups of coals made it possible to
substantially increase their adequacy and, in particu-
lar, to decrease the mean-square deviations of calcu-
lated values from actual ones.
Based on the fact that determination error in the
heat of combustion should be no higher than
0.3 MJ/kg [10], the value of Qsaf can be predicted using
Eqs. (7)–(14) for the coals of Ukraine, Eqs. (15) and
(16) for the coals of the Russian Federation, and Eqs.
(17)–(27) for the coals of the countries outside the for-
mer Soviet Union.
For the coals of the Russian Federation, a mathe-
matical equation was developed in the form of a qua-
dratic polynomial, which contained two variables: vit-

SOLID FUEL CHEMISTRY Vol. 52 No. 5 2018

 286 BALAEVA et al.

af
Q s ,MJ/kg
36

35

34

33

32
10 15 20 25 30 35
Cap, %

Fig. 10. Relationship between the values of Qsaf and Car.

af
Q s ,MJ/kg
36

35

34

33

32
7 8 9 10
δ

Fig. 11. Relationship between the values of Qsaf and Car.

2 rinite reflectance (R0) and the sum of fusainized com- on a moist ash-free basis of coals from the Russian
ponents (OK). This equation takes the following Federation.
form: As noted above, the vitrinite reflectance and the
yield of volatile substances can be used for the forecast
Qsaf  0.0321R0OK
of Qsaf of the coals of Ukraine and countries outside
 6.134R0  16.5891R0  25.6885
2
(28) the former Soviet Union. In this case, the adequate
 0.1304OK  0.0011OK .
2 forecast precision  = 0.27–0.30 MJ/kg is ensured.

The coefficient of determination (D) of the depen-

dence obtained was 89.8%; the multiple correlation
coefficient (r) was 0.948; and the standard deviation
was 0.29 MJ/kg.
Based on the error obtained, Eq. (28), can be rec-
ommended for the forecast of the gross calorific value
CONCLUSIONS
(1) We performed the statistical analysis of correla-
tions between the characteristics of the composition,
structure, and properties of 63 test samples of coals
from Ukraine, the Russian Federation, and countries

SOLID FUEL CHEMISTRY Vol. 52 No. 5 2018

 METHOD FOR CALCULATING THE GROSS CALORIFIC VALUE 287

Table 6. Mathematical equations and the statistical estimation of the relationships between Qsaf and the properties of coals
from Ukraine, the Russian Federation, and countries outside the former Soviet Union
Equation Statistical estimation
Equation
number r D, % , MJ/kg
Ukraine
(7) Qsaf  1.731W a  36.64 0.91 83.7 0.29
(8) Qsaf  1.002Wmax  37.19 0.94 87.6 0.26
(9) Qsaf  0.015(V daf )2  0.891V daf  22.05 0.90 81.2 0.22
(10) Qsaf  12.58(R0 )2  28.15R0  19.31 0.91 83.1 0.30
(11) Qsaf  0.061(Cdaf )2  10.861Cdaf  448.22 0.82 67.8 0.27
(12) Qsaf  0.049(Odaf 0.95 90.5 0.23
d )  0.128Od  35.30
2 daf

(13) Qsaf  1.370Qsdaf  14.14 0.98 96.3 0.14

(14) Qsaf  0.0128(Cар )2  0.7458Cар  24.749 0.93 87.1 0.27

Russian Federation
(15) Qsaf  0.976Wmax  37.33 0.97 93.6 0.29
(16) Qsaf  1.428Qsdaf  16.4 0.98 95.4 0.26
countries outside the former Soviet Union
(17) Q af  1.291W a  36.28 0.80 63.4 0.20
s
(18) Qsaf  1.093Wmax  37.37 0.85 72.0 0.18
(19) Qsaf  0.0003(V daf )2  0.0305V daf  36.29 0.71 50.7 0.24
(20) Qsaf  0.268(R0 )2  0.669R0  34.09 0.73 52.7 0.23
(21) Qsaf  0.027(Cdaf )2  4.9292Cdaf  189.32 0.72 51.9 0.25
(22) Qsaf  0.021(Odaf 0.75 56.4 0.22
d )  0.024Od  35.71
2 daf

(23) Qsaf  1.283Qsdaf  11 0.98 95.3 0.10

(24) Qsaf  57.92(cA) 2  103.3cA  10.24 0.61 37.4 0.28
(25) Qsaf  22.16( fа )2  40.45 fа  17.68 0.58 33.2 0.28
(26) Qsaf  0.052(Cар )2  0.3382Cарар  30.06 0.71 51.1 0.24

(27) Qsaf  0.0959()2  2.2156  22.9 0.59 35.4 0.28

outside the former Soviet Union. We found that,
because of the different degrees of petrographic
homogeneity of the test coals, it is reasonable to fore-
cast the gross calorific value on a moist ash-free basis
separately for the coals of Ukraine, the Russian Feder-
ation, and countries outside the former Soviet Union.
(2) We developed quantitative relationships that
make it possible to forecast the gross calorific value on
a moist ash-free basis with a necessary accuracy based
on data on the yields of volatile substances, middle
2 random vitrinite reflectance values, and total fusain-
ized components separately for Ukraine, the Russian
Federation, and countries outside the former Soviet
Union.
In accordance with GOST (State Standard) 28663-
90: Brown Coals (Low Rank Coals). Codification [1], a
boundary between brown coals (low rank coals) and
black coals (medium rank coals) is established based
on the vitrinite reflectance (Ro) and the gross calorific
value on a moist ash-free basis (Qsaf ).
According to GOST (State Standard) 25543–2013:
Brown Coals, Hard Coals, and Anthracites. Classifica-

SOLID FUEL CHEMISTRY Vol. 52 No. 5 2018

288 BALAEVA et al.
tion according to Genetic and Technological Parameters
[2], fossil coals are subdivided into brown and black
coals depending on
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Translated by V. Makhlyarchuk
SOLID FUEL CHEMISTRY Vol. 52 No. 5 2018