**D. Chemometrics websites**


(http://www.econ.kuleuven.be/martina.vandebroek)


#### **Author details**

38 Analytical Chemistry

 Infometrix, Inc., developer of Pirouette, InStep and LineUp packages for multivariate data analysis. We specialize in integrating chemometrics into analytical instruments

Umetrics, maker of MODDE software for design of experiments and SIMCA

Grabitech Solutions AB, offering MultiSimplex, experimental design & optimization

PRS Software AS, maker of Sirius software, for data analysis and experimental design.

Applied Chemometrics, source for chemometrics related software, training, and

DATAN software for multidimensional chemometric analysis. (http://www.multid.se/)

Département d'Analyse Pharmaceutique et Biomédicale (FABI) à la Vrije Universiteit

McMaster University Hamilton - Department of Chemical Engineering - Prof. Dora

Université d'Anvers – Groupe de Recherche pour la chimiométrie et l'analyse par

Université d'Anvers – Département de Mathématique, Statistique et Actuariat -

 Université royale vétérinaire et agronomique de Fredriksberg – Groupe de Recherche en Chimiométrie - Prof. Rasmus Bro (http://www.models.kvl.dk/users/rasmus/) Université de Louvain - Research Center for Operations Research and Business

Université de Nimègue - Chemometrics Research Department - Prof. Lutgarde Buydens

Université de Silésie – Département de chimiométrie - Prof. Beata Walczak

Kourti (http://www.chemeng.mcmaster.ca/faculty/kourti/default.htm)

and process systems. (http://www.infometrix.com/)

software. (http://www.grabitech.se/)

consulting. (http://www.chemometrics.com/)

NAmICS (http://www.namics.nysaes.cornell.edu/)

(http://www.prs.no/)

(http://www.smatrix.com/)

**D. Chemometrics websites** 

Brussel (http://www.vub.ac.be/fabi)

Statistics - Prof. Martina Vandebroek

Johan Trygg (http://www.chemometrics.se/)

(http://www.cac.science.ru.nl/)

(http://www.chimiometrie.fr)

(http://www.econ.kuleuven.be/martina.vandebroek)

(http://chemometria.us.edu.pl/researchBeata.html)

Analytical Chemistry Laboratory, AgroParisTech, France

(http://www.fieldnirce.org/)

multivariate data analysis. (http://www.umetrics.com/) Thermo Electron, offers PLSplus/IQ add-on to GRAMS.

(http://www.thermo.com/com/cda/landingpage/0,,585,00.html)

S-Matrix Corp., maker of CARD, design of experiments software.

Belgian Chemometrics Society (http://chemometrie.kvcv.be/)

Research NIR Centre of Excellence (NIRCE) - Prof. Paul Geladi

rayons x - Prof. Van Espen (http://www.chemometrix.ua.ac.be/)

Prof. Peter Goos (http://www.ua.ac.be/main.aspx?c=peter.goos)

Christophe B.Y. Cordella *UMR1145 INRA/AgroParisTech, Institut National de la Recherche Agronomique, Laboratoire de Chimie Analytique, Paris, France* 

#### **Acknowledgments**

I thank Dr Dominique Bertrand (INRA Nantes, France) for proofreading and advice about the PCA and for his availability. I also thank my students who have provided much of the data used in this chapter.

#### **6. References**


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PCA: The Basic Building Block of Chemometrics 41

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**Chapter 2** 

© 2012 Akinyemi et al., licensee InTech. This is an open access chapter distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/3.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

© 2012 Akinyemi et al., licensee InTech. This is a paper distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/3.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

**Mineralogy and Geochemistry of** 

**South Africa** 

http://dx.doi.org/10.5772/50692

composition and rank [3, 4].

**1. Introduction** 

**Sub-Bituminous Coal and Its Combustion** 

Coal forms from the accumulation and physical and chemical alteration of plants remains that settle in swampy areas and form peat, which thickens until heat and pressure transform it into the coal we use. The coal we use is combustible sedimentary rock composed of carbon, hydrogen, oxygen, nitrogen, sulphur, and various trace elements (it has a carbonaceous content of more than 50 % by weight and more than 70 % by volume). As much as 70 % of the South African estimated coal reserve is located in the Waterberg, Witbank, and Highveld coalfields, as well as lesser amounts in the Ermelo, Free State and Springbok Flats coalfields. However, the Witbank and Highveld coalfields are approaching exhaustion (estimated 9 billion tons of recoverable coal remaining in each), while the coal quality or mining conditions in the Waterberg, Free State and Springbok Flats coalfields are significant barriers to immediate, conventional exploitation [1]. South Africa is the third largest coal producer in the world, and coal accounts for 64 % of South Africa's primary energy supply [2]. Electricity generation accounts for 61 % of the total coal consumption in South Africa and more than 90 % of the country's electricity requirements are provided for by coal-fired power plants [2]. South African coals are generally low in sulphur, nitrogen and phosphorus, and in the case of the first two the contents are dependent on maceral

The inorganic elements in coal can have profound environmental, economic, technological and human health impacts [5, 6]. Consequently, knowledge of their concentration is necessary when evaluating coals for combustion and conversion and also to evaluate potential negative environmental and health impacts resulting from coal use. Trace elements

**Products from Mpumalanga Province,** 

S. A. Akinyemi, W. M. Gitari, A. Akinlua and L. F. Petrik

Additional information is available at the end of the chapter


**Chapter 2** 
