Table of Isotopic Masses and Natural Abundances
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An Introduction to Isotopic Calculations John M
An Introduction to Isotopic Calculations John M. Hayes ([email protected]) Woods Hole Oceanographic Institution, Woods Hole, MA 02543, USA, 30 September 2004 Abstract. These notes provide an introduction to: termed isotope effects. As a result of such effects, the • Methods for the expression of isotopic abundances, natural abundances of the stable isotopes of practically • Isotopic mass balances, and all elements involved in low-temperature geochemical • Isotope effects and their consequences in open and (< 200°C) and biological processes are not precisely con- closed systems. stant. Taking carbon as an example, the range of interest is roughly 0.00998 ≤ 13F ≤ 0.01121. Within that range, Notation. Absolute abundances of isotopes are com- differences as small as 0.00001 can provide information monly reported in terms of atom percent. For example, about the source of the carbon and about processes in 13 13 12 13 atom percent C = [ C/( C + C)]100 (1) which the carbon has participated. A closely related term is the fractional abundance The delta notation. Because the interesting isotopic 13 13 fractional abundance of C ≡ F differences between natural samples usually occur at and 13F = 13C/(12C + 13C) (2) beyond the third significant figure of the isotope ratio, it has become conventional to express isotopic abundances These variables deserve attention because they provide using a differential notation. To provide a concrete the only basis for perfectly accurate mass balances. example, it is far easier to say – and to remember – that Isotope ratios are also measures of the absolute abun- the isotope ratios of samples A and B differ by one part dance of isotopes; they are usually arranged so that the per thousand than to say that sample A has 0.3663 %15N more abundant isotope appears in the denominator and sample B has 0.3659 %15N. -
Mass Spectrometry: Quadrupole Mass Filter
Advanced Lab, Jan. 2008 Mass Spectrometry: Quadrupole Mass Filter The mass spectrometer is essentially an instrument which can be used to measure the mass, or more correctly the mass/charge ratio, of ionized atoms or other electrically charged particles. Mass spectrometers are now used in physics, geology, chemistry, biology and medicine to determine compositions, to measure isotopic ratios, for detecting leaks in vacuum systems, and in homeland security. Mass Spectrometer Designs The first mass spectrographs were invented almost 100 years ago, by A.J. Dempster, F.W. Aston and others, and have therefore been in continuous development over a very long period. However the principle of using electric and magnetic fields to accelerate and establish the trajectories of ions inside the spectrometer according to their mass/charge ratio is common to all the different designs. The following description of Dempster’s original mass spectrograph is a simple illustration of these physical principles: The magnetic sector spectrograph PUMP F DD S S3 1 r S2 Fig. 1: Dempster’s Mass Spectrograph (1918). Atoms/molecules are first ionized by electrons emitted from the hot filament (F) and then accelerated towards the entrance slit (S1). The ions then follow a semicircular trajectory established by the Lorentz force in a uniform magnetic field. The radius of the trajectory, r, is defined by three slits (S1, S2, and S3). Ions with this selected trajectory are then detected by the detector D. How the magnetic sector mass spectrograph works: Equating the Lorentz force with the centripetal force gives: qvB = mv2/r (1) where q is the charge on the ion (usually +e), B the magnetic field, m is the mass of the ion and r the radius of the ion trajectory. -
Hetc-3Step Calculations of Proton Induced Nuclide Production Cross Sections at Incident Energies Between 20 Mev and 5 Gev
JAERI-Research 96-040 JAERI-Research—96-040 JP9609132 JP9609132 HETC-3STEP CALCULATIONS OF PROTON INDUCED NUCLIDE PRODUCTION CROSS SECTIONS AT INCIDENT ENERGIES BETWEEN 20 MEV AND 5 GEV August 1996 Hiroshi TAKADA, Nobuaki YOSHIZAWA* and Kenji ISHIBASHI* Japan Atomic Energy Research Institute 2 G 1 0 1 (T319-11 l This report is issued irregularly. Inquiries about availability of the reports should be addressed to Research Information Division, Department of Intellectual Resources, Japan Atomic Energy Research Institute, Tokai-mura, Naka-gun, Ibaraki-ken, 319-11, Japan. © Japan Atomic Energy Research Institute, 1996 JAERI-Research 96-040 HETC-3STEP Calculations of Proton Induced Nuclide Production Cross Sections at Incident Energies between 20 MeV and 5 GeV Hiroshi TAKADA, Nobuaki YOSHIZAWA* and Kenji ISHIBASHP* Department of Reactor Engineering Tokai Research Establishment Japan Atomic Energy Research Institute Tokai-mura, Naka-gun, Ibaraki-ken (Received July 1, 1996) For the OECD/NEA code intercomparison, nuclide production cross sections of l60, 27A1, nalFe, 59Co, natZr and 197Au for the proton incidence with energies of 20 MeV to 5 GeV are calculated with the HETC-3STEP code based on the intranuclear cascade evaporation model including the preequilibrium and high energy fission processes. In the code, the level density parameter derived by Ignatyuk, the atomic mass table of Audi and Wapstra and the mass formula derived by Tachibana et al. are newly employed in the evaporation calculation part. The calculated results are compared with the experimental ones. It is confirmed that HETC-3STEP reproduces the production of the nuclides having the mass number close to that of the target nucleus with an accuracy of a factor of two to three at incident proton energies above 100 MeV for natZr and 197Au. -
1 11. Nuclear Chemistry 11.1 Stable and Unstable Nuclides Very Large
11. Nuclear Chemistry Chemical reactions occur as a result of loosing/gaining and sharing electrons in the valance shell which is far away from the atomic nucleus as we described in previous chapters in chemical bonding. In chemical reactions identity of the elements (atomic) and the makeup of the nuclei (mass due to protons and neutrons) is preserved which is reflected in the Law of Conservation of mass. This idea of atomic nucleus is always stable was shattered as Henri Becquerel discovered radioactivity in uranium compound where uranium nuclei changes or undergo nuclear reactions where nuclei of an element is transformed into nuclei of different element(s) while emitting ionization radiation. Marie Curie also began a study of radioactivity in a different form of uranium ore called pitchblende and she discovered the existence of two more highly radioactive new elements radium and polonium formed as the products during the decay of unstable nuclide of uranium-235. Curie measure that the radiation emanated was proportional to the amount (moles or number of nuclides) of radioactive element present, and she proposed that radiation was a property nucleus of an unstable atom. The area of chemistry that focuses on the nuclear changes is called nuclear chemistry. What changes in a nuclide result from the loss of each of the following? a) An alpha particle. b) A gamma ray. c) An electron. d) A neutron. e) A proton. Answer: a), c), d), e) 11.1 Stable and Unstable Nuclides There are stable and unstable radioactive nuclides. Unstable nuclides emit subatomic particles, with alpha −α, beta −β, gamma −γ, proton-p, neutrons-n being the most common. -
Good Practice Guide for Isotope Ratio Mass Spectrometry, FIRMS (2011)
Good Practice Guide for Isotope Ratio Mass Spectrometry Good Practice Guide for Isotope Ratio Mass Spectrometry First Edition 2011 Editors Dr Jim Carter, UK Vicki Barwick, UK Contributors Dr Jim Carter, UK Dr Claire Lock, UK Acknowledgements Prof Wolfram Meier-Augenstein, UK This Guide has been produced by Dr Helen Kemp, UK members of the Steering Group of the Forensic Isotope Ratio Mass Dr Sabine Schneiders, Germany Spectrometry (FIRMS) Network. Dr Libby Stern, USA Acknowledgement of an individual does not indicate their agreement with Dr Gerard van der Peijl, Netherlands this Guide in its entirety. Production of this Guide was funded in part by the UK National Measurement System. This publication should be cited as: First edition 2011 J. F. Carter and V. J. Barwick (Eds), Good practice guide for isotope ratio mass spectrometry, FIRMS (2011). ISBN 978-0-948926-31-0 ISBN 978-0-948926-31-0 Copyright © 2011 Copyright of this document is vested in the members of the FIRMS Network. IRMS Guide 1st Ed. 2011 Preface A few decades ago, mass spectrometry (by which I mean organic MS) was considered a “black art”. Its complex and highly expensive instruments were maintained and operated by a few dedicated technicians and its output understood by only a few academics. Despite, or because, of this the data produced were amongst the “gold standard” of analytical science. In recent years a revolution occurred and MS became an affordable, easy to use and routine technique in many laboratories. Although many (rightly) applaud this popularisation, as a consequence the “black art” has been replaced by a “black box”: SAMPLES GO IN → → RESULTS COME OUT The user often has little comprehension of what goes on “under the hood” and, when “things go wrong”, the inexperienced operator can be unaware of why (or even that) the results that come out do not reflect the sample that goes in. -
An Octad for Darmstadtium and Excitement for Copernicium
SYNOPSIS An Octad for Darmstadtium and Excitement for Copernicium The discovery that copernicium can decay into a new isotope of darmstadtium and the observation of a previously unseen excited state of copernicium provide clues to the location of the “island of stability.” By Katherine Wright holy grail of nuclear physics is to understand the stability uncover its position. of the periodic table’s heaviest elements. The problem Ais, these elements only exist in the lab and are hard to The team made their discoveries while studying the decay of make. In an experiment at the GSI Helmholtz Center for Heavy isotopes of flerovium, which they created by hitting a plutonium Ion Research in Germany, researchers have now observed a target with calcium ions. In their experiments, flerovium-288 previously unseen isotope of the heavy element darmstadtium (Z = 114, N = 174) decayed first into copernicium-284 and measured the decay of an excited state of an isotope of (Z = 112, N = 172) and then into darmstadtium-280 (Z = 110, another heavy element, copernicium [1]. The results could N = 170), a previously unseen isotope. They also measured an provide “anchor points” for theories that predict the stability of excited state of copernicium-282, another isotope of these heavy elements, says Anton Såmark-Roth, of Lund copernicium. Copernicium-282 is interesting because it University in Sweden, who helped conduct the experiments. contains an even number of protons and neutrons, and researchers had not previously measured an excited state of a A nuclide’s stability depends on how many protons (Z) and superheavy even-even nucleus, Såmark-Roth says. -
Compilation and Evaluation of Fission Yield Nuclear Data Iaea, Vienna, 2000 Iaea-Tecdoc-1168 Issn 1011–4289
IAEA-TECDOC-1168 Compilation and evaluation of fission yield nuclear data Final report of a co-ordinated research project 1991–1996 December 2000 The originating Section of this publication in the IAEA was: Nuclear Data Section International Atomic Energy Agency Wagramer Strasse 5 P.O. Box 100 A-1400 Vienna, Austria COMPILATION AND EVALUATION OF FISSION YIELD NUCLEAR DATA IAEA, VIENNA, 2000 IAEA-TECDOC-1168 ISSN 1011–4289 © IAEA, 2000 Printed by the IAEA in Austria December 2000 FOREWORD Fission product yields are required at several stages of the nuclear fuel cycle and are therefore included in all large international data files for reactor calculations and related applications. Such files are maintained and disseminated by the Nuclear Data Section of the IAEA as a member of an international data centres network. Users of these data are from the fields of reactor design and operation, waste management and nuclear materials safeguards, all of which are essential parts of the IAEA programme. In the 1980s, the number of measured fission yields increased so drastically that the manpower available for evaluating them to meet specific user needs was insufficient. To cope with this task, it was concluded in several meetings on fission product nuclear data, some of them convened by the IAEA, that international co-operation was required, and an IAEA co-ordinated research project (CRP) was recommended. This recommendation was endorsed by the International Nuclear Data Committee, an advisory body for the nuclear data programme of the IAEA. As a consequence, the CRP on the Compilation and Evaluation of Fission Yield Nuclear Data was initiated in 1991, after its scope, objectives and tasks had been defined by a preparatory meeting. -
Heavy Element Nucleosynthesis
Heavy Element Nucleosynthesis A summary of the nucleosynthesis of light elements is as follows 4He Hydrogen burning 3He Incomplete PP chain (H burning) 2H, Li, Be, B Non-thermal processes (spallation) 14N, 13C, 15N, 17O CNO processing 12C, 16O Helium burning 18O, 22Ne α captures on 14N (He burning) 20Ne, Na, Mg, Al, 28Si Partly from carbon burning Mg, Al, Si, P, S Partly from oxygen burning Ar, Ca, Ti, Cr, Fe, Ni Partly from silicon burning Isotopes heavier than iron (as well as some intermediate weight iso- topes) are made through neutron captures. Recall that the prob- ability for a non-resonant reaction contained two components: an exponential reflective of the quantum tunneling needed to overcome electrostatic repulsion, and an inverse energy dependence arising from the de Broglie wavelength of the particles. For neutron cap- tures, there is no electrostatic repulsion, and, in complex nuclei, virtually all particle encounters involve resonances. As a result, neutron capture cross-sections are large, and are very nearly inde- pendent of energy. To appreciate how heavy elements can be built up, we must first consider the lifetime of an isotope against neutron capture. If the cross-section for neutron capture is independent of energy, then the lifetime of the species will be ( )1=2 1 1 1 µn τn = ≈ = Nnhσvi NnhσivT Nnhσi 2kT For a typical neutron cross-section of hσi ∼ 10−25 cm2 and a tem- 8 9 perature of 5 × 10 K, τn ∼ 10 =Nn years. Next consider the stability of a neutron rich isotope. If the ratio of of neutrons to protons in an atomic nucleus becomes too large, the nucleus becomes unstable to beta-decay, and a neutron is changed into a proton via − (Z; A+1) −! (Z+1;A+1) + e +ν ¯e (27:1) The timescale for this decay is typically on the order of hours, or ∼ 10−3 years (with a factor of ∼ 103 scatter). -
A Guide to Naturally Occurring Radioactive Materials (NORM)
ABOUT NORM SOME NORM NUCLIDES OF SPECIAL INTEREST A Guide to Naturally There are three types of NORM: Occurring Radioactive • Cosmogenic – NORM produced by cosmic rays interacting with the Earth’s Materials (NORM) Beryllium 7 atmosphere; the most important Developed by the 3 7 14 examples are H (tritium), Be, and C. 7Be is being continuously formed in the DHS Secondary Reachback Program • Primordial – Sufficiently long-lived atmosphere by cosmic rays. Jet engines can March 2010 NORM for some to have survived from accumulate enough 7Be to set off before the formation of the Earth; there radiological alarms when being cleaned. are 20 primordial NORM nuclides with As defined by the International Atomic the most important being 40K, 232Th, Energy Agency (IAEA), Naturally 235U, and 238U. Polonium 210 Occurring Radioactive Materials • Daughters – When 232Th, 235U and 238U In the 238U decay chain 210Po is a distant (NORM) include all natural radioactive decay 42 different radioactive nuclides daughter of 226Ra. 210Po gained notoriety in materials where human activities have are formed (see below) with the most the 1960s as a radioactive trace component increased the potential for exposure in important being 222Rn, 226Ra, 228Ra and in cigarette smoke. Heavy use of phosphate comparison with the unaltered natural 228 Ac. fertilizers (which have trace amounts of out here. fold Next situation. If processing has increased 226Ra) can triple the amount of 210Po found the concentrations of radionuclides in a When 232Th, 235U and 238U decay a in tobacco. material then it is Technologically radioactive “daughter” nuclide is formed, Enhanced NORM (TE-NORM). -
Electron Ionization
Chapter 6 Chapter 6 Electron Ionization I. Introduction ......................................................................................................317 II. Ionization Process............................................................................................317 III. Strategy for Data Interpretation......................................................................321 1. Assumptions 2. The Ionization Process IV. Types of Fragmentation Pathways.................................................................328 1. Sigma-Bond Cleavage 2. Homolytic or Radical-Site-Driven Cleavage 3. Heterolytic or Charge-Site-Driven Cleavage 4. Rearrangements A. Hydrogen-Shift Rearrangements B. Hydride-Shift Rearrangements V. Representative Fragmentations (Spectra) of Classes of Compounds.......... 344 1. Hydrocarbons A. Saturated Hydrocarbons 1) Straight-Chain Hydrocarbons 2) Branched Hydrocarbons 3) Cyclic Hydrocarbons B. Unsaturated C. Aromatic 2. Alkyl Halides 3. Oxygen-Containing Compounds A. Aliphatic Alcohols B. Aliphatic Ethers C. Aromatic Alcohols D. Cyclic Ethers E. Ketones and Aldehydes F. Aliphatic Acids and Esters G. Aromatic Acids and Esters 4. Nitrogen-Containing Compounds A. Aliphatic Amines B. Aromatic Compounds Containing Atoms of Nitrogen C. Heterocyclic Nitrogen-Containing Compounds D. Nitro Compounds E. Concluding Remarks on the Mass Spectra of Nitrogen-Containing Compounds 5. Multiple Heteroatoms or Heteroatoms and a Double Bond 6. Trimethylsilyl Derivative 7. Determining the Location of Double Bonds VI. Library -
Modern Mass Spectrometry
Modern Mass Spectrometry MacMillan Group Meeting 2005 Sandra Lee Key References: E. Uggerud, S. Petrie, D. K. Bohme, F. Turecek, D. Schröder, H. Schwarz, D. Plattner, T. Wyttenbach, M. T. Bowers, P. B. Armentrout, S. A. Truger, T. Junker, G. Suizdak, Mark Brönstrup. Topics in Current Chemistry: Modern Mass Spectroscopy, pp. 1-302, 225. Springer-Verlag, Berlin, 2003. Current Topics in Organic Chemistry 2003, 15, 1503-1624 1 The Basics of Mass Spectroscopy ! Purpose Mass spectrometers use the difference in mass-to-charge ratio (m/z) of ionized atoms or molecules to separate them. Therefore, mass spectroscopy allows quantitation of atoms or molecules and provides structural information by the identification of distinctive fragmentation patterns. The general operation of a mass spectrometer is: "1. " create gas-phase ions "2. " separate the ions in space or time based on their mass-to-charge ratio "3. " measure the quantity of ions of each mass-to-charge ratio Ionization sources ! Instrumentation Chemical Ionisation (CI) Atmospheric Pressure CI!(APCI) Electron Impact!(EI) Electrospray Ionization!(ESI) SORTING DETECTION IONIZATION OF IONS OF IONS Fast Atom Bombardment (FAB) Field Desorption/Field Ionisation (FD/FI) Matrix Assisted Laser Desorption gaseous mass ion Ionisation!(MALDI) ion source analyzer transducer Thermospray Ionisation (TI) Analyzers quadrupoles vacuum signal Time-of-Flight (TOF) pump processor magnetic sectors 10-5– 10-8 torr Fourier transform and quadrupole ion traps inlet Detectors mass electron multiplier spectrum Faraday cup Ionization Sources: Classical Methods ! Electron Impact Ionization A beam of electrons passes through a gas-phase sample and collides with neutral analyte molcules (M) to produce a positively charged ion or a fragment ion. -
12 Natural Isotopes of Elements Other Than H, C, O
12 NATURAL ISOTOPES OF ELEMENTS OTHER THAN H, C, O In this chapter we are dealing with the less common applications of natural isotopes. Our discussions will be restricted to their origin and isotopic abundances and the main characteristics. Only brief indications are given about possible applications. More details are presented in the other volumes of this series. A few isotopes are mentioned only briefly, as they are of little relevance to water studies. Based on their half-life, the isotopes concerned can be subdivided: 1) stable isotopes of some elements (He, Li, B, N, S, Cl), of which the abundance variations point to certain geochemical and hydrogeological processes, and which can be applied as tracers in the hydrological systems, 2) radioactive isotopes with half-lives exceeding the age of the universe (232Th, 235U, 238U), 3) radioactive isotopes with shorter half-lives, mainly daughter nuclides of the previous catagory of isotopes, 4) radioactive isotopes with shorter half-lives that are of cosmogenic origin, i.e. that are being produced in the atmosphere by interactions of cosmic radiation particles with atmospheric molecules (7Be, 10Be, 26Al, 32Si, 36Cl, 36Ar, 39Ar, 81Kr, 85Kr, 129I) (Lal and Peters, 1967). The isotopes can also be distinguished by their chemical characteristics: 1) the isotopes of noble gases (He, Ar, Kr) play an important role, because of their solubility in water and because of their chemically inert and thus conservative character. Table 12.1 gives the solubility values in water (data from Benson and Krause, 1976); the table also contains the atmospheric concentrations (Andrews, 1992: error in his Eq.4, where Ti/(T1) should read (Ti/T)1); 2) another category consists of the isotopes of elements that are only slightly soluble and have very low concentrations in water under moderate conditions (Be, Al).