skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: An investigation of aqueous ammonium nitrate aerosols with soft X-ray spectroscopy

Journal Article · · Molecular Physics

Aqueous aerosols are important in atmospheric chemistry, drug delivery, and human health. X-ray photoelectron spectroscopy (XPS), a surface-sensitive technique and near-edge X-ray absorption fine structure (NEXAFS) spectroscopy which informs on the bulk, is deployed to study the solvation of ammonium nitrate (NH4NO3). Aerosolised solutions of NH4NO3 were introduced into a photoelectron spectrometer via an aerodynamic lens, and interrogated with soft X-ray photons, the resulting electrons were imaged via velocity map imaging. Density functional theory calculations were performed to compare with the measured binding energies of NH4+ and NO3- solvated in water. The results reveal that the nitrate anion has a slight propensity for the surface, while both ammonium and nitrate ions are present in equal measure in the bulk.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division
Grant/Contract Number:
AC02-05CH11231
OSTI ID:
1829206
Journal Information:
Molecular Physics, Vol. 120, Issue 1-2; ISSN 0026-8976
Publisher:
Taylor & FrancisCopyright Statement
Country of Publication:
United States
Language:
English

References (39)

Benchmark binding energies of ammonium and alkyl-ammonium ions interacting with water. Are ammonium–water hydrogen bonds strong? journal January 2015
Properties of aqueous nitrate and nitrite from x-ray absorption spectroscopy journal August 2015
Quantitative electron spectroscopy of surfaces: A standard data base for electron inelastic mean free paths in solids journal February 1979
Velocity map imaging of inelastic and elastic low energy electron scattering in organic nanoparticles journal November 2019
A global model simulation of present and future nitrate aerosols and their direct radiative forcing of climate journal January 2014
Local electronic structure of histidine in aqueous solution journal January 2021
Aqueous Solvation of Ammonia and Ammonium: Probing Hydrogen Bond Motifs with FT-IR and Soft X-ray Spectroscopy journal August 2017
On rotational dynamics of an NH4+ ion in water journal May 2003
Liquid–liquid phase separation in particles containing organics mixed with ammonium sulfate, ammonium bisulfate, ammonium nitrate or sodium chloride journal January 2013
Hydration of NH 4 + in Water: Bifurcated Hydrogen Bonding Structures and Fast Rotational Dynamics journal September 2020
Surface Behavior of Hydrated Guanidinium and Ammonium Ions: A Comparative Study by Photoelectron Spectroscopy and Molecular Dynamics journal June 2014
Probing the Electronic Structure of Bulk Water at the Molecular Length Scale with Angle-Resolved Photoelectron Spectroscopy journal June 2020
Interfacial and bulk properties of concentrated solutions of ammonium nitrate journal January 2020
Hydration properties determining the reactivity of nitrite in aqueous solution journal January 2014
Symmetry Breaking and Hydration Structure of Carbonate and Nitrate in Aqueous Solutions: A Study by Ab Initio Quantum Mechanical Charge Field Molecular Dynamics journal November 2011
On NO3−–H2O interactions in aqueous solutions and at interfaces journal February 2006
Coupling a versatile aerosol apparatus to a synchrotron: Vacuum ultraviolet light scattering, photoelectron imaging, and fragment free mass spectrometry journal April 2006
Model simulation of ammonium and nitrate aerosols distribution in the Euro-Mediterranean region and their radiative and climatic effects over 1979–2016 journal January 2019
Soft X-ray spectroscopy of nanoparticles by velocity map imaging journal July 2017
Finite slice analysis (FINA) of sliced and velocity mapped images on a Cartesian grid journal August 2017
Two-dimensional charged particle image inversion using a polar basis function expansion journal November 2004
Structure, stability, and infrared spectroscopy of (H2O)nNH4+ clusters: A theoretical study at zero and finite temperature journal October 2008
Ionic Hydrogen-Bond Networks and Ion Solvation. 1. An Efficient Monte Carlo/Quantum Mechanical Method for Structural Search and Energy Computations: Ammonium/Water journal February 2009
VUV photoelectron imaging of biological nanoparticles: Ionization energy determination of nanophase glycine and phenylalanine-glycine-glycine journal January 2006
Finite slice analysis (FINA)—A general reconstruction method for velocity mapped and time-sliced ion imaging journal July 2017
A global high-resolution emission inventory for ammonia journal December 1997
A Direct Probe of the Hydrogen Bond Network in Aqueous Glycerol Aerosols journal June 2021
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package journal September 2014
Exploring the Solvation of Acetic Acid in Water Using Liquid Jet X-ray Photoelectron Spectroscopy and Core Level Electron Binding Energy Calculations journal August 2021
Ab initio investigation of the energy and electronic evolution upon progressive solvation of ammonium ions journal December 1975
From atoms to aerosols: probing clusters and nanoparticles with synchrotron based mass spectrometry and X-ray spectroscopy journal January 2020
Ammonia sources in the California South Coast Air Basin and their impact on ammonium nitrate formation: SOUTH COAST AIR BASIN AMMONIA SOURCES journal April 2012
An ab initio study of the hydration and ammoniation of ammonium ions journal January 1974
Electronic structure of aqueous solutions: Bridging the gap between theory and experiments journal June 2017
On the evaporation of ammonium nitrate aerosol journal January 1983
Spatial Distribution of Nitrate and Nitrite Anions at the Liquid/Vapor Interface of Aqueous Solutions journal June 2009
Surface Electric Fields of Aqueous Solutions of NH 4 NO 3 , Mg(NO 3 ) 2 , NaNO 3 , and LiNO 3 : Implications for Atmospheric Aerosol Chemistry journal October 2014
Ab Initio Simulation of Rotational Dynamics of Solvated Ammonium Ion in Water journal December 1999
Soft X-ray Spectroscopy of the Amine Group: Hydrogen Bond Motifs in Alkylamine/Alkylammonium Acid–Base Pairs journal July 2018

Similar Records

Redox potentials in ammonium nitrate solutions
Journal Article · Wed Mar 01 00:00:00 EST 1995 · Journal of Chemical and Engineering Data · OSTI ID:1829206

Effects of ammonium nitrate aerosol exposure on lung structure of normal and elastase-impaired rats and guinea pigs
Journal Article · Tue Apr 01 00:00:00 EST 1986 · Environ. Res.; (United States) · OSTI ID:1829206

Electron-, X-ray-, and ion-stimulated decomposition of nitrate salts
Journal Article · Thu Apr 10 00:00:00 EST 1986 · J. Phys. Chem.; (United States) · OSTI ID:1829206