Data Article
Characterization data of reference cement CEM I
42.5 R used for priority program DFG SPP 2005
“Opus Fluidum Futurum eRheology of reactive,
multiscale, multiphase construction materials”
Z.C. Lu
a
, M. Haist
b
,
c
, D. Ivanov
d
, C. Jakob
e
, D. Jansen
e
,
S. Leinitz
f
, J. Link
b
,
c
, V. Mechtcherine
g
, J. Neubauer
e
,
J. Plank
h
, W. Schmidt
f
, C. Schilde
d
, C. Schr€
ofl
g
,
T. Sowoidnich
i
, D. Stephan
a
,
*
a
Department of Civil Engineering, Technische Universit€
at Berlin, 13355, Berlin, Germany
b
Institute of Building Materials, Leibniz Universit€
at Hannover, 30167, Hannover, Germany
c
Institute of Concrete Structures and Building Materials (IMB) and Materials Testing and Research Institute
(MPA Karlsruhe), Karlsruher Institue für Technologie, 76131, Karlsruhe, Germany
d
Institute for Particle Technology, Technische Universit€
at Braunschweig, 38106, Braunschweig, Germany
e
GeoZentrum Nordbayern, Mineralogy, Friedrich-Alexander Universit€
at Erlangen-Nürnberg, 91054,
Erlangen, Germany
f
Bundesanstalt für Materialforschung und - Prüfung (BAM), 12205, Berlin, Germany
g
Institute of Construction Materials, Technische Universit€
at Dresden, 01159, Dresden, Germany
h
Department of Chemistry, Technische Universit€
at München, 85748, Garching, Germany
i
F.A. Finger-Institute for Building Materials, Bauhaus-Universit€
at Weimar, 99421, Weimar, Germany
article info
Article history:
Received 5 August 2019
Received in revised form 6 October 2019
Accepted 15 October 2019
Available online 22 October 2019
Keywords:
Portland cement
Characterization
DFG SPP 2005
abstract
A thorough characterization of starting materials is the precondi-
tion for further research, especially for cement, which contains
various phases and presents quite a complex material for funda-
mental scientific investigation. In the paper at hand, the charac-
terization data of the reference cement CEM I 42.5 R used within
the priority program 2005 of the German Research Foundation
(DFG SPP 2005) are presented from the aspects of chemical and
mineralogical compositions as well as physical and chemical
properties. The data were collected based on tests conducted by
nine research groups involved in this cooperative program. For all
data received, the mean values and the corresponding errors were
*Corresponding author.
Contents lists available at ScienceDirect
Data in brief
journal homepage: www.elsevier.com/locate/dib
https://doi.org/10.1016/j.dib.2019.104699
2352-3409/©2019 The Authors. Published by Elsevier Inc. This is an open access article under the CC BY license (http://
creativecommons.org/licenses/by/4.0/).
Data in brief 27 (2019) 104699
calculated. The results shall be used for the ongoing research
within the priority program.
©2019 The Authors. Published by Elsevier Inc. This is an open
access article under the CC BY license (http://creativecommons.
org/licenses/by/4.0/).
1. Data
Table 1 lists the universities, research institute, and cement company involved in the character-
ization of the CEM I 42.5 R and the abbreviations are explained respectively. Fig. 1 shows selected SEM
pictures of cement grains with different magnifications.
1.1. Characterization data of oxide composition and phase contents
In Fig. 2 the oxide composition (CaO, SiO
2
,Al
2
O
3
,Fe
2
O
3
,SO
3
, MgO, K
2
O, Na
2
O, TiO
2
and P
2
O
5
),
insoluble residue as well as the loss on ignition (LOI) of CEM I 42.5 R measured by the different
participating groups according to EN 196-2: 2013 [1] are shown. It should be mentioned that the data
denominated as (1) to (3) were measured by one research group from one single batch but different
bags. In Fig. 2(b) SO
3
* means the value obtained by the X-ray fluorescence analysis (XRF) and SO
3
**
indicates the value captured by the wet chemistry method. The same meanings of * and ** are also
suitable for the other data shown in Fig. 2. Unless otherwise stated, the oxide composition shown in
Specifications Table
Subject Ceramics and Composites
Specific subject area Building materials; Cement
Type of data Table; Image; Graph; Figure
How data was acquired XRD; SEM; EN 196-1: 2016; EN 196-2: 2013; EN 196-3: 2016; EN 196-6: 2018; EN 196-11: 2018; EN
1097-7: 2008; ISO 13320: 2009; ISO 9277: 2010
Data format Raw; Analyzed
Parameters for data
collection
Chemical composition; Phase contents; Density; Specific surface area; Particle size; Calorimetry;
Water demand; Setting time; Mechanical strength
Description of data
collection
Firstly a thorough characterization on CEM I 42.5 R was made by in total 9 research groups. Then the
data were collected and compared. Furthermore, the mean values and the corresponding errors
were calculated based on the collective data.
Data source location Seven universities, one research institute, and one company as shown in Table 1
Data accessibility Repository name: Deposit Once
Data identification number: https://doi.org/10.14279/depositonce-9023
Direct URL to data: https://depositonce.tu-berlin.de/handle/11303/10032
Related research article The data presented here will be cited by the upcoming research publications financed by DFG SPP
2005
Value of the Data
The data are useful because a well characterization on CEM I 42.5 R from aspects of composition and properties are shown
in this paper. Besides, the corresponding variation trend on cementitious materials is also included.
All the research groups involved in the DFG SPP 2005 priority program and other related researchers can use these data for
their further study.
The data provide a solid foundation for the further research involved in the DFG SPP 2005 priority program. Besides, all
researchers can refer to this variation trend on cementitious materials in their own study.
Seven universities, one research institute and one company are involved to conduct common characterization tests on the
same samples.
Z.C. Lu et al. / Data in brief 27 (2019) 1046992
Fig. 2 is measured based on XRF analysis. Furthermore, due to the quite low content of Cl
of 0.02 wt.%
only, the amount of Cl
is not included in Fig. 2.
In the legend of the figures of this paper, IQR means the interquartile range, namely the range
between 25
th
and 75
th
percentiles (as shown in the area in the grey box). The specific explanation could
be found on the website [2]. The error bar shows the range within 1.5 times of IQR. The median line
indicates the 50
th
percentile and the mean value is calculate based on data from all the samples within
the 1.5 IQR range and does not include outliers.
Table 1
Universities, research institute and the company involved in the characterization.
Acronym Affiliation
BAM Bundesanstalt für Materialforschung und -prüfung
BUW Bauhaus-Universit€
at Weimar
FAU Friedrich-Alexander Universit€
at Erlangen-Nürnberg
Heidelberg HeidelbergCement AG
KIT Karlsruher Institut für Technologie
TUB Technische Universit€
at Berlin
TUBS Technische Universit€
at Braunschweig
TUDD Technische Universit€
at Dresden
TUM Technische Universit€
at München
Fig. 1. SEM pictures of CEM I 42.5 R with different magnifications.
Z.C. Lu et al. / Data in brief 27 (2019) 104699 3
Fig. 2. Oxide composition of CEM I 42.5 R; (a) CaO and SiO
2
; (b) Al
2
O
3
,Fe
2
O
3
and SO
3
; (c) MgO, K
2
O, loss on ignition and insoluble
residue; (d) Na
2
O, TiO
2
and P
2
O
5
.
Z.C. Lu et al. / Data in brief 27 (2019) 1046994
Fig. 3. Phase contents in CEM I 42.5 R; (a) C
3
S and C
2
S; (b) C
3
A, C
4
AF, sulfate carrier and calcite.
Z.C. Lu et al. / Data in brief 27 (2019) 104699 5
Fig. 4. True density of CEM I 42.5 R.
Fig. 5. Specific surface area of CEM I 42.5 R measured by the Blaine method.
Z.C. Lu et al. / Data in brief 27 (2019) 1046996
Fig. 3 shows the phase contents of CEM I 42.5 R based on the results from three different groups
through the method of powder-XRD combined with quantification of the patterns according to the
Rietveld refinement method [3].
1.2. Characterization data of physical properties
The true density of the CEM I 42.5 R was measured by Helium pycnometer method according to
standard EN 1097-7: 2008 [4]. Results are shown in Fig. 4. The same experiment was conducted by
different groups, as shown by the hexagon, and then the mean value was calculated.
The specific surface area of the CEM I 42.5 R was measured by the Blaine method according to EN
196-6: 2018 [5] and the results are shown in Fig. 5.
The specific surface area of the CEM I 42.5 R was measured by the BET method according to ISO
9277: 2010 [6]. Results are shown in Fig. 6. The numbers in brackets indicate the values from the same
sample but different pre-treatment methods that were conducted by the same group.
Laser diffraction was applied to measure the particle size distribution (PSD) of the cement by eight
different groups according to the method described in ISO 13320: 2009 [7]. The average distribution
line was calculated, as shown in Fig. 7. The shadow areas below and above this average line indicate the
scope of the testing results. The characterized particle size distributions of the cement (d (0.1), d (0.5)
and d (0.9)) are shown in Fig. 8.
1.3. Characterization data of other properties
Water demand, as well as initial and final setting time were measured according to the standard EN
196-3: 2016 [8]. Flexural and compressive strength were measured according to the standard EN 196-
1: 2016 [9]. The results are shown in Figs. 9e11.
The cement hydration with a water to cement ratio of 0.434 at the temperature of 20
Cwas
characterized independently by three different groups according to the method described in EN 196-
Fig. 6. Specific surface area of CEM I 42.5 R measured by the BET method.
Z.C. Lu et al. / Data in brief 27 (2019) 104699 7
Fig. 7. Particle size and distribution of CEM I 42.5 R measured by laser diffraction method; (a) differential curve; (b) Integration
curve.
Z.C. Lu et al. / Data in brief 27 (2019) 1046998
Fig. 8. Particle size distribution of CEM I 42.5 R at d (0.1), d (0.5) and d (0.9).
Fig. 9. Water demand of CEM I 42.5 R.
Z.C. Lu et al. / Data in brief 27 (2019) 104699 9
11: 2018 [10]. The results are shown in Fig. 12. The shadow areas below and above the average line
indicate the scope of the test results.
2. Experimental design, materials, and methods
All samples analyzed in this campaign stemmed from the same batch of cement production. The
sample amount delivered to the different research groups were between a few kilograms up to several
tons. The material was stored in closed containers, and the various groups took a representative sample
from their own sub-batch.
For the characterizations of the CEM I 42.5 R, EN 196-2: 2013 was applied for the assessment of the
oxide composition, insoluble residue and loss on ignition. Density was measured according to EN 1097-
7: 2008; specific surface area by the Blaine method was measured according to EN 196-6: 2018 and by
BET based on ISO 9277: 2010. Water demand and setting times were tested based on EN 196-3: 2016;
flexural and compressive strength were obtained following EN 196-1: 2016. Isothermal heat flow
calorimetry was measured according to EN 196-11: 2018. Particle size distribution was evaluated based
on ISO 13320: 2009. For the other characterization methods of the CEM I 42.5 R, the specific experi-
ment design and methods are explicated below.
SEM images were recorded on uncoated cement powder with a Nova NanoSEM 230 (FEI,
Netherlands) equipped with a field-emission gun (Schottky emitter). For lower magnification, a low-
vacuum-detector (LVD) applying 12 kV acceleration voltage and 0.9 mbar was used. For higher
magnification, a through the lens detector (TLD) at 2 kV and 22 pA electric current was used under high
vacuum conditions.
For the characterization of phase contents, powder-XRD combined with quantification of the pat-
terns was used. In different research groups, different XRD devices with different analysis software
were used. In one research group, XRD was performed in a Siemens D5000 with operation parameters
given elsewhere [11]. Rietveld refinement was performed with the software Profex (3.12.1). In the
software package, the fundamental parameters approach for Rietveld refinement was applied [12]. In
another research group, the software package of Bruker Topas V5.0 was used for Rietveld refinement. In
the software package, the fundamental parameters approach for Rietveld refinement was
Fig. 10. Initial and final setting time of CEM I 42.5 R.
Z.C. Lu et al. / Data in brief 27 (2019) 10469910
Fig. 11. Mechanical strength of hardened cement mortars after curing for certain time; (a) Compressive strength; (b) Flexural
strength.
Z.C. Lu et al. / Data in brief 27 (2019) 104699 11
implemented [13]. Additionally, an external standard [14] was applied in order to estimate the
amorphous content of the CEM I 42.5 R, which was found to be negligible.
Acknowledgments
The authors gratefully thank the German Research Association (DFG) for funding the Priority Pro-
gram DFG SPP 2005 project program “Opus Fluidum Futurum eRheology of reactive, multiscale, multi-
phase construction materials”(project number 313773090)and HeidelbergCement AG for their supply of
the cement.
Conflict of Interest
The authors declare that they have no known competing financial interests or personal relation-
ships that could have appeared to influence the work reported in this paper
Appendix. Average values and the standard deviation calculated based on the results from
different groups
Fig. 12. Calorimetry curve of cement paste with water to cement ratio of 0.434 at the temperature of 20 C.
Table 2
Oxide composition of CEM I 42.5 R and the corresponding standard deviation.
CaO SiO
2
Al
2
O
3
Fe
2
O
3
MgO K
2
ONa
2
O TiO
2
P
2
O
5
Mn
2
O
3
SO
3a
SO
3b
LOI Cl
Insoluble
residue
Sum
Composition
(wt.-%)
64.4 20.4 5.4 2.6 1.4 0.77 0.22 0.29 0.14 0.07 2.7 3.11 1.87 0.02 1.04 100.12
Standard
deviation
0.85 0.16 0.19 0.21 0.15 0.09 0.01 0.02 0.04 0.02 0.35 0.24 0.05 0.003 0.12 0.25
a
Measured by XRF.
b
Analysis by other methods.
Z.C. Lu et al. / Data in brief 27 (2019) 10469912
References
[1] EN 196-2, Method of Testing Cement ePart 2: Chemical Analysis of Cement, 2013.
[2] Originlab, Creating box charts. https://www.originlab.com/doc/Origin-Help/Create-Box-Chart, 2019. (Accessed 5 July
2019).
[3] H.M. Rietveld, A profile refinement method for nuclear and magnetic structures, J. Appl. Crystallogr. 2 (1969) 65e71,
https://doi.org/10.1107/S0021889869006558.
[4] EN 1097-7, Tests for Mechanical and Physical Properties of Aggregates. Determination of the Particle Density of Filler,
Pyknometer method, 2008.
[5] EN 196-6, Method of Testing Cement ePart 6: Determination of Fineness, 2018.
[6] ISO 9277, Determination of the Specific Surface Area of Solids by Gas Adsorption - BET Method, 2010.
[7] ISO 13320, Particle Size Analysis - Laser Diffraction Methods, 2009.
[8] EN 196-3, Method of Testing Cement ePart 3: Determination of Setting Times and Soundness, 2016.
[9] EN 196-1, Methods of Testing Cement - Part 1: Determination of Strength, 2016.
[10] EN 196-11, Methods of Testing Cement - Part 11: Heat of Hydration - Isothermal Conduction Calorimetry Method, 2018.
[11] F. Bellmann, D. Damidot, B. M€
oser, J. Skibsted J, Improved evidence for the existence of an intermediate phase during
hydration of tricalcium silicate, Cement Concr. Resour. 40 (2010) 875e884, https://doi.org/10.1016/j.cemconres.2010.02.
007.
[12] N. D€
obelin, R. Kleeberg, Profex: a graphical user interface for the rietveld refinement program BGMN, J. Appl. Crystallogr.
48 (2015) 1573e1580, https://doi.org/10.1107/S1600576715014685.
[13] R.W. Cheary, A. Coelho, A fundamental parameters approach to X-ray line-Profile Fitting, J. Appl. Crystallogr. 25 (1992)
109e121, https://doi.org/10.1107/S0021889891010804.
[14] D. Jansen, Ch Stabler, F. Goetz-Neunhoeffer, S. Dittrich, J. Neubauer, Does Ordinary Portland Cement (OPC) contain
amorphous phase? A quantitative study using an external standard method, J. Powder Diffr. 26 (2011) 31e38, https://doi.
org/10.1154/1.3549186.
Table 3
Phase contents of CEM I 42.5 R and the corresponding standard deviation.
C
3
SC
2
SC
3
A
(orth.)
C
3
A
(cub.)
C
4
AF Anhydrite Bassanite Arcanite Calcite Quartz Periclase Sum
Composition (wt.-%) 55.8 14.6 3.6 7.3 7.4 2.2 2.7 0.5 3.7 0.9 0.4 99.5
Standard deviation 1.79 0.45 0.58 0.50 0.97 0.27 0.45 0.23 0.19 0.21 0.11 0.50
Table 4
Physical properties of CEM I 42.5 R and the corresponding standard deviation.
Density (kg/dm
3
) Specific surface area
a
(cm
2
/g) Specific surface area
b
(m
2
/g) Particle size (
m
m)
d (0.1) d (0.5) d (0.9)
Average value 3.115 3615 1.235 1.5 14.8 44.6
Standard deviation 0.0068 122.6 0.0584 0.66 1.03 1.29
a
Measured by Blaine method.
b
Measured by BET method.
Table 5
Other properties of CEM I 42.5 R and the corresponding standard deviation.
Water
demand
(wt.-%)
Setting time
(h)
Compresive strength (MPa) Flexural strength (MPa)
Initial Final 1 d 2 d 7 d 28 d 1 d 2 d 7 d 28 d
Average value 29.4 2.7 3.7 19.9 30.3 45.9 56.8 4.6 5.8 7.5 8.1
Standard
deviation
1.09 0.19 0.36 1.77 2.46 2.08 1.40 0.24 0.43 0.53 0.63
Z.C. Lu et al. / Data in brief 27 (2019) 104699 13
