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For Peer Review Only IUPAC A critical review of the proposed definitions of fundamental Forchemical Peer quantities Review and their impact Onlyon chemical communities Journal: Pure and Applied Chemistry Manuscript ID PAC-REP-16-08-08.R2 Manuscript Type: Report Date Submitted by the Author: 31-Jan-2017 Complete List of Authors: Marquardt, Roberto; Université Louis Pasteur, Laboratoire de Chimie Quantique Theorique Meija, Juris; National Research Council Canada, Measurement Science and Standards Mester, Zoltan; National Research Council of Canada, Institute for National Measurement Standards Towns, Marcy; Purdue University System, Department of Chemistry Weir, Ron; Royal Military College of Canada, Dep. of Chemistry & Chemical Engineering Davis, Richard; Bureau International des Poids et Mesures (BIPM) Stohner, Jürgen; Zurich University for Applied Sciences, Chemistry and Biotechnology; ETH Zurich, Laboratory for Physical Chemistry Keywords: Redefinition of the kilogram, Mole, proposed new SI Author-Supplied Keywords: P.O. 13757, Research Triangle Park, NC (919) 485-8700 Page 1 of 56 IUPAC 1 2 3 4 1 A critical review of the proposed definitions of fundamental 5 6 2 chemical quantities and their impact on chemical 7 8 9 3 communities 10 11 4 (IUPAC Technical Report) 12 5 Second Revised Version 31 January 2017 13 14 6 doi.org/10.1515/pac-2016-0808 15 16 For Peer Review Only 17 18 19 20 21 (a) (b) (c) (d) 22 7 Roberto Marquardt , Juris Meija , Zoltan Mester ,MarcyTowns , 23 (e) (f) (g) ∗ 24 8 Ron Weir , Richard Davis ,andJ¨urgen Stohner 25 26 9 27 10 (a) Prof. Dr. Roberto Marquardt 28 11 Past-President of Division I 29 30 12 Laboratoire de Chimie Quantique 31 13 Institut de Chimie 32 14 Universit´eLouisPasteur 33 15 1, Rue Blaise Pascal 34 16 F-67008 Strasbourg 35 17 France 36 18 email: [email protected] 37 38 19 (b) Dr. Juris Meija 39 20 Chair Commission II.1 CIAAW, Titular Member ICTNS 40 21 National Research Council Canada 41 22 Measurement Science and Standards 42 23 1200 Montreal Road M-12, B-12 43 24 Ottawa, ON K1A 0R6 44 25 45 Canada 46 26 email: [email protected] 47 27 (c) Dr. Zoltan Mester 48 28 Vice-President Division V 49 29 National Research Council Canada 50 30 51 Measurement Science and Standards 52 31 1200 Montreal Road M-12, G-7 53 32 Ottawa, ON K1A 0R6 54 33 Canada 55 34 email: [email protected] 56 57 58 59 60 i P.O. 13757, Research Triangle Park, NC (919) 485-8700 IUPAC Page 2 of 56 1 2 3 4 35 (d) Prof. Dr. Marcy Towns 5 36 Committee on Chemical Education (CCE) 6 37 Purdue University 7 8 38 Department of Chemistry 9 39 Office WTHR 107E 10 40 560 Oval Drive 11 41 West Lafayette, Indiana 47907 12 42 USA 13 43 email: [email protected] 14 15 44 (e) Prof. Dr. Ron D. Weir 16 45 Chair ICTNSFor Peer Review Only 17 46 Royal Military College of Canada 18 47 Dep. of Chemistry & Chemical Engineering 19 48 P.O. Box 17000, Stn. Forces 20 49 Kingston, ON K7K 7B4 21 50 Canada 22 23 51 email: [email protected] 24 52 (f) Dr. Richard Davis 25 53 Bureau International des Poids et Mesures (BIPM) 26 54 Pavillon de Breteuil 27 55 F-92312 S`evres Cedex 28 56 29 France 30 57 email: [email protected] 31 58 (g) Prof. Dr. J¨urgen Stohner FRSC 32 59 Secretary ICTNS, Chair Commission I.1 Green Book, Chair Mole Project 33 60 ZHAW Zurich University of Applied Sciences 34 61 ICBT Institute for Chemistry & Biotechnology 35 36 62 Einsiedlerstrasse 31 37 63 CH-8820 W¨adenswil 38 64 Switzerland 39 65 email: [email protected] 40 66 and 41 67 Guest scientist at 42 68 ETHZ Swiss Federal Institute of Technology 43 69 44 Laboratory for Physical Chemistry 45 70 ETH H¨onggerberg, Wolfgang-Pauli-Strasse 10 46 71 CH-8092 Z¨urich 47 72 Switzerland 48 73 email: [email protected] 49 50 51 52 53 54 55 56 57 58 59 60 ii P.O. 13757, Research Triangle Park, NC (919) 485-8700 Page 3 of 56 IUPAC 1 2 3 4 74 Prologue 5 6 7 75 In the proposed new SI, the kilogram will be redefined in terms of the Planck constant and 8 76 the mole will be redefined in terms of the Avogadro constant. These redefinitions will have 9 77 some consequences for measurements in chemistry. The goal of the Mole Project (IUPAC 10 11 78 Project Number 2013-048-1-100) was to compile published work related to the definition 12 79 of the quantity ‘amount of substance’, its unit the ‘mole’, and the consequence of these 13 14 80 definitions on the unit of the quantity mass, the kilogram. The published work has been 15 81 reviewed critically with the aim of assembling all possible aspects in order to enable IU- 16 For Peer Review Only 82 PAC to judge the adequateness of the existing definitions or new proposals. Compilation 17 18 83 and critical review relies on the broadest spectrum of interested IUPAC members. 19 84 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 iii P.O. 13757, Research Triangle Park, NC (919) 485-8700 IUPAC Page 4 of 56 1 2 3 4 85 1 Introduction 5 6 86 ”It is as easy to count atomies as to resolve the propositions of a lover.” 7 8 87 William Shakespeare, As You Like It 9 10 88 The International System of Units (SI) is defined and published in the SI Brochure pro- 11 12 89 duced by the International Committee for Weights and Measures (CIPM) at the request of 13 90 the General Conference on Weights and Measures (CGPM). The Brochure is currently in 14 th 91 its 8 Edition since 1970. The main purpose of this document is ”to define and promote 15 16 92 the SI, whichFor has been Peer used around theReview world as the preferred Only language of science and th 17 93 technology since its adoption in 1960 through a Resolution of the 11 General Conference 18 19 94 on Weights and Measures” [1]. 20 21 22 Table 1: Comparison between the current SI [1] and the proposed new SI [2] for the 23 24 definitions of the kilogram and the mole. This 2011 text of the proposed new SI is not 25 necessarily the final wording that will be recommended by the CIPM to the CGPM prior 26 27 to the next CGPM meeting in 2018. The numbers given in the last column (proposed new 28 SI) have been modified according to the CODATA 2014 recommendation [3]. Final values 29 will be computed by CODATA prior to introduction of the new SI. 30 31 Base Quantity, Unit Name Current SI Proposed new SI 32 [1] [2] 33 mass, The kilogram is the unit of The kilogram, symbol kg, is 34 the kilogram mass; it is equal to the mass the SI unit of mass; its 35 of the international magnitude is set by fixing the 36 prototype of the kilogram. numerical value of the Planck 37 38 constant to be exactly −34 39 6.626 070 040 × 10 when it 40 is expressed in the SI unit for 41 action J s = kg m2 s−1. 42 amount of substance, 1. The mole is the amount of The mole, symbol mol, is the 43 44 the mole substance of a system which SI unit of amount of 45 contains as many elementary substance of a specified 46 entities as there are atoms in elementary entity, which may 47 0.012 kilogram of carbon 12; be an atom, molecule, ion, 48 49 its symbol is ”mol”. electron, any other particle 50 2. When the mole is used, or a specified group of such 51 the elementary entities must particles; its magnitude is set 52 be specified and may be by fixing the numerical value 53 54 atoms, molecules, ions, of the Avogadro constant to 55 electrons, other particles, or be exactly 56 specified groups of such 6.022 140 857 × 1023 when it 57 particles. is expressed in the SI unit 58 mol−1. 59 60 1 P.O. 13757, Research Triangle Park, NC (919) 485-8700 Page 5 of 56 IUPAC 1 2 3 4 95 5 6 7 96 Resolutions and Recommendations of the CGPM and the CIPM related to the SI are 8 97 listed in the SI Brochure [1]. 9 98 10 11 99 Among its principal goals, the proposed new SI is intended to redefine the kilogram. The 12 100 international prototype kilogram (IPK) is an artifact stored at the BIPM near Paris since 13 101 14 1889. The mass mIPK of the IPK is 1 kg by definition; the artifact is a platinum-iridium 15 102 cylinder with a height and diameter of approximately 39 mm. Six additional official copies 16 For Peer Review Only 103 exist. The mass of the IPK and of prototypes in national laboratories have been compared 17 18 104 about every 40 years. It turned out that the prototype kilogram and the six official copies 19 105 showed some divergence in mass over time and relative changes are observed on the order 20 −8 106 of 5 × 10 per century with respect to their first calibration, although this trend was not 21 22 107 observed between the two most recent measurement campaigns [4].
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