Chemical Thermodynamics of Compounds and Complexes of U, Np, Pu, Am, Tc, Se, Ni and Zr With Selected Organic Ligands, Volume 9 (Chemical Thermodynamics)

1133 Pages·2005·65.91 MB·English

by  Myriam Illemassène

CHEMICAL THERMODYNAMICS
OF COMPOUNDS AND COMPLEXES
OF U, Np, Pu, Am, Tc, Se, Ni AND Zr
WITH SELECTED ORGANIC LIGANDS
CHEMICAL THERMODYNAMICS
Vol. 1. Chemical Thermodynamics of Uranium (H. Wanner and I. Forest, eds.)
Vol. 2. Chemical Thermodynamics of Americium (R.J. Silva etal.)
Vol. 3. Chemical Thermodynamics of Technetium (M.C.A. Sandino and E. Östhols, eds.)
Vol. 4. Chemical Thermodynamics of Neptunium and
Plutonium (OECD Nuclear Energy Agency, ed.)
Vol. 5. Update on the Chemical Thermodynamics of Uranium, Neptunium, Plutonium,
Americium and Technetium (OECD Nuclear Energy Agency, ed.)
Vol. 6. Chemical Thermodynamics of Nickel (OECD Nuclear Energy Agency, ed.)
Vol. 7. Chemical Thermodynamics of Selenium (OECD Nuclear Energy Agency, ed.)
Vol. 8. Chemical Thermodynamics of Zirconium (OECD Nuclear Energy Agency, ed.)
Vol. 9. Chemical Thermodynamics of Compounds and Complexes of U, Np, Pu, Am, Tc,
Se, Ni and Zr with Selected Organic Ligands (OECD Nuclear Energy Agency, ed.)
CHEMICAL THERMODYNAMICS 9
Chemical Thermodynamics
of Compounds and Complexes
of U, Np, Pu, Am, Tc, Se, Ni and Zr
with Selected Organic Ligands
Wolfgang Hummel (Chairman)
Laboratory for Waste Management
Paul Scherrer Institut
Villigen (Switzerland)
Giorgio Anderegg Linfeng Rao
Swiss Federal Institute of Technology Glenn T. Seaborg Center
(ETH) Chemical Sciences Division
Zürich (Switzerland) Lawrence Berkeley National Laboratory
Berkeley (California, USA)
Ignasi Puigdomènech Osamu Tochiyama
Swedish Nuclear Fuel and Institute of Multidisciplinary Research
Waste Management Co. (SKB) for Advanced Materials (IMRAM)
Stockholm (Sweden) Tohoku University
Sendai (Japan)
Edited by
FedericoJ. MOMPEAN (Series Editor and Project Co-ordinator)
Myriam ILLEMASSÈNE (Volume Editor) and Jane PERRONE
OECD Nuclear Energy Agency, Data Bank
Issy-les-Moulineaux (France)
2005
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Preface
This book is the ninth of the series "Chemical Thermodynamics" edited by the OECD
Nuclear Energy Agency (NEA), and it is the first review in this series focused on or-
ganic ligands.
This Organics Review was initiated by the Management Board of the NEA
Thermochemical Database Project Phase II (NEA TDB II). Originally Wolfgang
Hummel (PSI, Switzerland), Giorgio Anderegg (ETH Zurich, Switzerland), Ignasi
Puigdomenech (SKB, Sweden), Osamu Tochiyama (Tohoku University, Sendai, Japan),
Josef Havel and Pfemek Lubal (Masaryk University, Brno, Czech Republic) partici-
pated in the Organics Review. In August 2003 time constraints and the pressure of other
commitments forced Josef Havel and Pfemek Lubal to resign from the Review Team. In
December 2003 Linfeng Rao (LBNL, Berkeley, USA) joined the Review Team.
The first meeting of the Organics Review Group was held in August 1998 at
the NEA Headquarters at Issy-les-Moulineaux (France) and six plenary meetings fol-
lowed in October 1999 (Brno, Czech Republic), April 2000 (Sendai, Japan), November
2000 (PSI, Switzerland), September 2001 (Bregenz, Austria), October 2002 (PSI, Swit-
zerland) and January 2004 (OECD, Paris, France). The Executive Group of the Man-
agement Board provided scientific assistance and Hans Wanner, as the designated
member of the Executive Group, participated in some of the Review Group meetings
and maintained close contact with the chairman of the Organics Review Team.
At the NEA Data Bank the responsibility for the overall co-ordination of the
Project was placed with Eric Osthols (from its initiation in 1998 to February 2000), with
Stina Lundberg (from March 2000 to September 2000) and with Federico Mompean
(since September 2000). Federico Mompean was in charge of the preparation of the
successive drafts, updating the NEA thermodynamic database and editing the book to its
present final form, with assistance from Myriam Illemassene and Jane Perrone.
All the members of the Review Team contributed fully to the main text and the
discussions, and the excellent internal communication of the team has to be noted here.
However, the workload was distributed according to the expertise of each member.
Wolfgang Hummel was the principal author of the sections about oxalic acid,
protonation and Na and K interactions of oxalate, while Josef Havel and Pfemek Lubal
were initially involved in reviewing the compounds and complexes of oxalate. Ignasi
Puigdomenech reviewed citric acid and ethylenediaminetetraacetic acid, as well as
protonation and Na and K interactions of citrate and edta. Osamu Tochiyama was the
principal author of all sections concerning metal citrate complexes, whereas Giorgio
Anderegg carried out the review of edta complexes with the editorial help of Wolfgang
VI PREFACE
Hummel. After the resignation of Josef Havel and Pfemek Lubal their remaining tasks
were reassigned: Linfeng Rao reviewed uranium oxalate compounds and complexes,
Wolfgang Hummel Ca and Mg oxalates, Osamu Tochiyama Zr and Am oxalates and
Ignasi Puigdomenech Ni, Tc, Se, Np and Pu oxalates. The chapter on iso-saccharinic
acid and compounds and complexes of isa is a joint review of Linfeng Rao and
Wolfgang Hummel.
Villigen, Switzerland, March 2005 Wolfgang Hummel, Chairman
Acknowledgements
For the preparation of this book, the authors have received financial support from the
NEA TDB Phase II Project. The following organisations take part in the Project:
ANSTO, Australia
ONDRAF/NIRAS, Belgium
RAWRA, Czech Republic
POSIVA, Finland
ANDRA, France
IPSN (now IRSN), France
FZK, Germany
JNC, Japan
ENRESA, Spain
SKB, Sweden
SKI, Sweden
HSK, Switzerland
NAGRA, Switzerland
PSI, Switzerland
BNFL, UK
NIREX, UK
DoE, USA
The authors would like to express their gratitude to Richard M. Kettler (De-
partment of Geology, University of Nebraska, Lincoln, Nebraska, USA), Ranko P.
Bontchev (Sandia National Laboratories, Albuquerque, New Mexico, USA) and Marian
Borkowski (Los Alamos National Laboratory, Los Alamos, NM, USA) for providing
unpublished data, to Martin A. Glaus and Jan Tits (both from the Laboratory for Waste
Management, Paul Scherrer Institut, Villigen, Switzerland) for providing preprints of
their most recent publications and to Pavel Samoylov from the Nikolaev Institute of
Inorganic Chemistry (RAS) for providing access to a monograph by N. M. Nikolaeva.
VII
Vlll ACKNOWLEDGEMENTS
The authors would like to acknowledge the contributions of Prof. Josef Havel
and Dr. Pfemek Lubal (both from the Department of Analytical Chemistry, Masaryk
University, Brno, Czech Republic) to the section of oxalate compounds and complexes,
mainly for nickel and neptunium, during the early stages of the review process.
At the NEA Data Bank, Pierre Nagel and Eric Lacroix have provided excellent
software and advice, which have eased the editorial and database work. Cynthia Picot,
Solange Quarmeau and Amanda Costa from NEA Publications have provided consider-
able help in editing the present series. Their contributions and the support of many NEA
staff members are highly appreciated.
Jan Rosdahl (Inorganic Chemistry, Royal Institute of Technology, Stockholm,
Sweden) helped through literature searches in preparing several figures showing mo-
lecular structures of complexes. His contribution is gratefully recognized.
Ingmar Grenthe (Inorganic Chemistry, Royal Institute of Technology, Stock-
holm, Sweden) reviewed early versions of Chapters VII and VIII. His contributions are
gratefully acknowledged.
The entire manuscript of this book has undergone a peer review by an inde-
pendent international group of reviewers, according to the procedures in the TDB-6
Guideline, available from the NEA. The peer reviewers have seen and approved the
modifications made by the authors in response to their comments. The peer review
comment records may be obtained on request from the OECD Nuclear Energy Agency.
The peer reviewers were:
Prof. Gregory R. Choppin, Florida State University, Tallahassee, Florida, USA
Prof. Pier G. Daniele, University of Turin, Turin, Italy
Prof. Alfredo Mederos, University of La Laguna, Tenerife, Spain
Their contributions are gratefully acknowledged.
Note from the Chairman of the
NEA TDB Project Phase II
The need to make available a comprehensive, internationally recognised and quality-
assured chemical thermodynamic database that meets the modelling requirements for
the safety assessment of radioactive waste disposal systems prompted the Radioactive
Waste Management Committee (RWMC) of the OECD Nuclear Energy Agency (NEA)
to launch in 1984 the Thermochemical Database Project (NEA TDB) and to foster its
continuation as a semi-autonomous project known as NEA TDB Phase II in 1998.
The RWMC assigned a high priority to the critical review of relevant chemical
thermodynamic data of inorganic species and compounds of the actinides uranium,
neptunium, plutonium and americium, as well as the fission product technetium. The
first four books in this series on the chemical thermodynamics of uranium, americium,
neptunium and plutonium, and technetium originated from this initiative.
The organisation of Phase II of the TDB Project reflects the interest in many
OECD/NEA member countries for a timely compilation of the thermochemical data that
would meet the specific requirements of their developing national waste disposal pro-
grammes.
The NEA TDB Phase II Review Teams, comprising internationally recognised
experts in the field of chemical thermodynamics, exercise their scientific judgement in
an independent way during the preparation of the review reports. The work of these
Review Teams has also been subjected to further independent peer review.
Phase II of the TDB Project consisted of: (i) updating the existing, CODATA-
compatible database for inorganic species and compounds of uranium, neptunium, plu-
tonium, americium and technetium, (ii) extending it to include selected data on inor-
ganic species and compounds of nickel, selenium and zirconium, (iii) and further adding
data on organic complexes of citrate, oxalate, edta and iso-saccharinic acid (isa) with
uranium, neptunium, plutonium, americium, technetium, nickel, selenium, zirconium
and some other competing cations.
The NEA TDB Phase II objectives were formulated by the 17 participating or-
ganisations coming from the fields of radioactive waste management and nuclear regu-
lation. The TDB Management Board is assisted for technical matters by an Executive
Group of experts in chemical thermodynamics. In this second phase of the Project, the
IX