Beyond single particle mass spectrometry: multidimensional characterisation of individual aerosol particles

The behaviour of small aerosol particles depends on a number of their physical and chemical properties, many of which are strongly coupled. The size, internal composition, density, shape, morphology, hygroscopicity, index of refraction, activity as cloud condensation nuclei and ice nuclei and other attributes of individual particles all play a role in determining particle properties and their impacts. The traditional particle characterisation approaches rely on separate parallel measurements that average over an ensemble of particles of different sizes and/or compositions and later attempt to draw correlations between them. As a result such studies overlook critical differences between particles and bulk and miss the fact that individual particles often exhibit major differences. Here, we review the recently developed methods to simultaneously measure in situ and in real time several of the attributes for individual particles using a single particle mass spectrometer (SPMS), SPLAT or its second generation SPLAT II. We also discuss novel approaches developed for classification, visualisation and mining of large datasets produced by the multidimensional single particle characterisation.

[1]  Steven J. Ghan,et al.  Aerosol Properties and Processes: A Path from Field and Laboratory Measurements to Global Climate Models , 2007 .

[2]  B. Morrical,et al.  Real-Time Analysis of Individual Atmospheric Aerosol Particles: Design and Performance of a Portable ATOFMS , 1997 .

[3]  Bernhard Spengler,et al.  Instrumentation, data evaluation and quantification in on-line aerosol mass spectrometry. , 2007, Journal of mass spectrometry : JMS.

[4]  A. Zelenyuk,et al.  On the Effect of Particle Alignment in the DMA , 2007 .

[5]  H. Hasan,et al.  Apportioning light extinction coefficients to chemical species in atmospheric aerosol , 1983 .

[6]  Dwayne E. Heard,et al.  Analytical techniques for atmospheric measurement , 2006 .

[7]  Kimberly A Prather,et al.  Recent advances in our understanding of atmospheric chemistry and climate made possible by on-line aerosol analysis instrumentation. , 2005, Analytical chemistry.

[8]  Greg J Evans,et al.  Chemically-assigned classification of aerosol mass spectra , 2002, Journal of the American Society for Mass Spectrometry.

[9]  Roger E. Miller,et al.  Depth profiling of heterogeneously mixed aerosol particles using single-particle mass spectrometry. , 2002, Analytical chemistry.

[10]  R. Crookes,et al.  On obtaining the fractal dimension of a 3D cluster from its projection on a plane-application to smoke agglomerates , 1990 .

[11]  Bernhard Spengler,et al.  Data processing in on-line laser mass spectrometry of inorganic, organic, or biological airborne particles , 1999 .

[12]  H. Burtscher,et al.  In situ measurement of size and density of submicron aerosol particles , 1995 .

[13]  H. Horvath Method for the determination of dynamic shape factors of sphere aggregates by measuring the sedimentation velocity in a capacitor , 1979 .

[14]  Kimberly A Prather,et al.  Aerosol time-of-flight mass spectrometry data analysis: a benchmark of clustering algorithms. , 2007, Analytica chimica acta.

[15]  Daniel M. Murphy,et al.  Particle density inferred from simultaneous optical and aerodynamic diameters sorted by composition , 2004 .

[16]  Douglas R. Worsnop,et al.  Laboratory and Ambient Particle Density Determinations using Light Scattering in Conjunction with Aerosol Mass Spectrometry , 2007 .

[17]  C. Chan,et al.  Mass transfer effects in hygroscopic measurements of aerosol particles , 2005 .

[18]  D. Topping,et al.  Closure between measured and modelled particle hygroscopic growth during TORCH2 implies ammonium nitrate artefact in the HTDMA measurements , 2006 .

[19]  K. Prather,et al.  Mass spectrometry of aerosols. , 1999, Chemical reviews.

[20]  R C Flagan,et al.  Measurements of secondary organic aerosol from oxidation of cycloalkenes, terpenes, and m-xylene using an Aerodyne aerosol mass spectrometer. , 2005, Environmental science & technology.

[21]  Kenneth A. Smith,et al.  Development of an Aerosol Mass Spectrometer for Size and Composition Analysis of Submicron Particles , 2000 .

[22]  R. Rosenfeld Nature , 2009, Otolaryngology--head and neck surgery : official journal of American Academy of Otolaryngology-Head and Neck Surgery.

[23]  W. P. Kelly,et al.  Measurement of Particle Density by Inertial Classification of Differential Mobility Analyzer–Generated Monodisperse Aerosols , 1992 .

[24]  A. Wexler,et al.  Real-Time Monitoring of the Surface and Total Composition of Aerosol Particles , 1997 .

[25]  C. Voigt,et al.  Focusing of Aerosols into a Particle Beam at Pressures from 10 to 150 Torr , 1999 .

[26]  I. Tang Thermodynamic and optical properties of mixed‐salt aerosols of atmospheric importance , 1997 .

[27]  Alla Zelenyuk,et al.  From Agglomerates of Spheres to Irregularly Shaped Particles: Determination of Dynamic Shape Factors from Measurements of Mobility and Vacuum Aerodynamic Diameters , 2006 .

[28]  M. Pitchford,et al.  Relationship between measured water vapor growth and chemistry of atmospheric aerosol for Grand Canyon, Arizona, in winter 1990 , 1994 .

[29]  J. Seinfeld,et al.  Atmospheric Chemistry and Physics: From Air Pollution to Climate Change , 1997 .

[30]  M. Johnston Sampling and analysis of individual particles by aerosol mass spectrometry. , 2000, Journal of mass spectrometry : JMS.

[31]  J. Abbatt,et al.  Infrared Observations of the Response of NaCl, MgCl2, NH4HSO4, and NH4NO3 Aerosols to Changes in Relative Humidity from 298 to 238 K , 2000 .

[32]  A. Zelenyuk,et al.  Simultaneous measurements of individual ambient particle size, composition, effective density, and hygroscopicity. , 2008, Analytical Chemistry.

[33]  A. Trimborn,et al.  Online Analysis of Atmospheric Particles with a Transportable Laser Mass Spectrometer , 2000 .

[34]  A. Zelenyuk,et al.  Comparison between mass spectra of individual organic particles generated by UV laser ablation and in the IR/UV two-step mode , 2009 .

[35]  T. Onasch,et al.  Deliquescence, Efflorescence, and Water Activity in Ammonium Nitrate and Mixed Ammonium Nitrate/Succinic Acid Microparticles , 2000 .

[36]  A. Zelenyuk,et al.  Simultaneous determination of individual ambient particle size, hygroscopicity and composition , 2002 .

[37]  S. Kreidenweis,et al.  Water uptake of internally mixed particles containing ammonium sulfate and dicarboxylic acids , 2003 .

[38]  A. Wexler,et al.  Size‐resolved ultrafine particle composition analysis 2. Houston , 2003 .

[39]  D. Rader,et al.  Application of the tandem differential mobility analyzer to studies of droplet growth or evaporation , 1986 .

[40]  A. Zelenyuk,et al.  "Depth-profiling" and quantitative characterization of the size, composition, shape, density, and morphology of fine particles with SPLAT, a single-particle mass spectrometer. , 2008, Journal of Physical Chemistry A.

[41]  T. Greenhalgh 42 , 2002, BMJ : British Medical Journal.

[42]  Charles E. Kolb,et al.  Atmospheric Chemistry and Physics Technical Note: Use of a Beam Width Probe in an Aerosol Mass Spectrometer to Monitor Particle Collection Efficiency in the Field , 2022 .

[43]  A. Wexler,et al.  Laser Desorption/Ionization of Single Ultrafine Multicomponent Aerosols , 1998 .

[44]  K. Prather,et al.  Development and characterization of an aerosol time-of-flight mass spectrometer with increased detection efficiency. , 2004, Analytical chemistry.

[45]  G. G. Stokes "J." , 1890, The New Yale Book of Quotations.

[46]  Alla Zelenyuk,et al.  Effect of hydrophobic primary organic aerosols on secondary organic aerosol formation from ozonolysis of α‐pinene , 2007 .

[47]  John B. Nowak,et al.  Infrared spectroscopy of model tropospheric aerosols as a function of relative humidity: Observation of deliquescence and crystallization , 1997 .

[48]  Jorma Keskinen,et al.  Method for Measuring Effective Density and Fractal Dimension of Aerosol Agglomerates , 2004 .

[49]  Weidong Yang,et al.  Shape control of CdSe nanocrystals , 2000, Nature.

[50]  Logan R. Chieffo,et al.  High Precision Density Measurements of Single Particles: The Density of Metastable Phases , 2005 .

[51]  C. B. Richardson,et al.  Evaporation of ammonium nitrate particles , 1987 .

[52]  Alla Zelenyuk,et al.  Single Particle Laser Ablation Time-of-Flight Mass Spectrometer: An Introduction to SPLAT , 2005 .

[53]  A. Wexler,et al.  Size-resolved ultrafine particle composition analysis, 1. Atlanta , 2003 .

[54]  P. Mcmurry,et al.  Relationship between particle mass and mobility for diesel exhaust particles. , 2003, Environmental science & technology.

[55]  David B. Kittelson,et al.  Generating Particle Beams of Controlled Dimensions and Divergence: I. Theory of Particle Motion in Aerodynamic Lenses and Nozzle Expansions , 1995 .

[56]  Charles E. Kolb,et al.  A Numerical Characterization of Particle Beam Collimation by an Aerodynamic Lens-Nozzle System: Part I. An Individual Lens or Nozzle , 2002 .

[57]  Xin Wang,et al.  The Relationship between Mass and Mobility for Atmospheric Particles: A New Technique for Measuring Particle Density , 2002 .

[58]  J. Seinfeld,et al.  Aerosol Formation in the Cyclohexene-Ozone System , 2000 .

[59]  Peter H. McMurry,et al.  A review of atmospheric aerosol measurements , 2000 .

[60]  P. Hopke,et al.  Classification of Single Particles Analyzed by ATOFMS Using an Artificial Neural Network, ART-2A , 1999 .

[61]  Liberato Manna,et al.  Controlled growth of tetrapod-branched inorganic nanocrystals , 2003, Nature materials.

[62]  Noble,et al.  Real-time single particle mass spectrometry: a historical review of a quarter century of the chemical analysis of aerosols , 2000, Mass spectrometry reviews.

[63]  M. Stolzenburg,et al.  On-line determination of particle size and density in the nanometer size range , 1995 .

[64]  P. Ziemann,et al.  Optical shape fraction measurements of submicrometre laboratory and atmospheric aerosols , 1998 .

[65]  B. Dahneke Viscous Resistance of Straight-Chain Aggregates of Uniform Spheres , 1982 .

[66]  Yung-Sung Cheng,et al.  Drag Force and Slip Correction of Aggregate Aerosols , 1988 .

[67]  David S. Thomson,et al.  Particle Analysis by Laser Mass Spectrometry WB-57F Instrument Overview , 2000 .

[68]  J. M. Ramsey,et al.  The Elucidation of Charge-Transfer-Induced Matrix Effects in Environmental Aerosols Via Real-Time Aerosol Mass Spectral Analysis of Individual Airborne Particles , 2000 .

[69]  A. Levine,et al.  New estimates of the storage permanence and ocean co-benefits of enhanced rock weathering , 2023, PNAS nexus.

[70]  Alla Zelenyuk,et al.  SPLAT II: An Aircraft Compatible, Ultra-Sensitive, High Precision Instrument for In-Situ Characterization of the Size and Composition of Fine and Ultrafine Particles , 2009 .

[71]  A. Zelenyuk,et al.  A New Real-Time Method for Determining Particles’ Sphericity and Density: Application to Secondary Organic Aerosol Formed by Ozonolysis of α-Pinene , 2008 .

[72]  K. Mueller,et al.  SpectraMiner, an interactive data mining and visualization software for single particle mass spectroscopy: A laboratory test case , 2006 .

[73]  Alfred Wiedensohler,et al.  Variability of apparent particle density of an urban aerosol. , 2003, Environmental science & technology.

[74]  D. R. Worsnop,et al.  Density changes of aerosol particles as a result of chemical reaction , 2004 .

[75]  Barbara J. Turpin,et al.  Species Contributions to PM2.5 Mass Concentrations: Revisiting Common Assumptions for Estimating Organic Mass , 2001 .

[76]  D. Murphy,et al.  Cluster Analysis of Data from the Particle Analysis by Laser Mass Spectrometry (PALMS) Instrument , 2003 .

[77]  J. Hand,et al.  A New Method for Retrieving Particle Refractive Index and Effective Density from Aerosol Size Distribution Data , 2002 .

[78]  R. Niessner,et al.  Microstructural rearrangement of sodium chloride condensation aerosol particles on interaction with water vapor , 2000 .

[79]  A. Zelenyuk,et al.  A High Resolution Study of the Effect of Morphology On the Mass Spectra of Single PSL Particles with Na-containing Layers and Nodules , 2006 .

[80]  H. Hansson,et al.  Dynamic shape factors of sphere aggregates in an electric field and their dependence on the Knudsen number , 1985 .

[81]  J. Veefkind,et al.  Crystallisation of mixtures of ammonium nitrate, ammonium sulphate and soot , 1998 .

[82]  Klaus Mueller,et al.  ClusterSculptor: A Visual Analytics Tool for High-Dimensional Data , 2007, 2007 IEEE Symposium on Visual Analytics Science and Technology.

[83]  A S Wexler,et al.  Application of the ART-2a algorithm to laser ablation aerosol mass spectrometry of particle standards. , 2001, Analytical chemistry.

[84]  Y. Kousaka,et al.  Orientation-Specific Dynamic Shape Factors for Doublets and Triplets of Spheres in the Transition Regime , 1996 .

[85]  K. T. Whitby,et al.  The aerosol mobility chromatograph: A new detector for sulfuric acid aerosols , 1978 .

[86]  Bernhard Spengler,et al.  Simultaneous Detection of Positive and Negative Ions From Single Airborne Particles by Real-time Laser Mass Spectrometry , 1996 .

[87]  John H. Seinfeld,et al.  Hygroscopicity of secondary organic aerosols formed by oxidation of cycloalkenes, monoterpenes, sesquiterpenes, and related compounds , 2006 .

[88]  O. Raabe,et al.  Slip correction measurements for aerosol particles of doublet and triangular triplet aggregates of spheres , 1985 .

[89]  著者なし 16 , 1871, Animals at the End of the World.

[90]  B. Turpin,et al.  Elemental composition and morphology of individual particles separated by size and hygroscopicity with the TDMA , 1996 .

[91]  E. Weingartner,et al.  Generation of Submicron Arizona Test Dust Aerosol: Chemical and Hygroscopic Properties , 2005 .

[92]  K. Prather,et al.  Simultaneous measurement of the effective density and chemical composition of ambient aerosol particles. , 2007, Environmental science & technology.

[93]  K. Mueller,et al.  ClusterSculptor: Software for expert-steered classification of single particle mass spectra , 2008 .

[94]  J. Heyder,et al.  Diffusional losses of nonspherical particles in tubes , 1986 .

[95]  A. Alivisatos,et al.  Melting in Semiconductor Nanocrystals , 1992, Science.

[96]  Tomas Baer,et al.  Aerosol mass spectrometry: An introductory review , 2006 .

[97]  J. Thudium,et al.  Mean bulk densities of samples of dry atmospheric aerosol particles: A summary of measured data , 1977 .

[98]  D. Murphy,et al.  The design of single particle laser mass spectrometers. , 2007, Mass spectrometry reviews.

[99]  S. Downey,et al.  Single particle characterization by time-of-flight mass spectrometry , 1995 .

[100]  B. Turpin,et al.  Measurements of relative humidity-dependent bounce and density for atmospheric particles using the DMA-impactor technique , 1994 .

[101]  A. Zelenyuk,et al.  Two-Color Laser Induced Evaporation Dynamics of Liquid Aerosols Probed by Time-of-Flight Mass Spectrometry , 2000 .

[102]  K. Prather,et al.  Extending ATOFMS measurements to include refractive index and density. , 2005, Analytical chemistry.

[103]  P. Chan,et al.  Free-molecule drag on straight chains of uniform spheres , 1981 .

[104]  Miss A.O. Penney (b) , 1974, The New Yale Book of Quotations.

[105]  D. Huffman,et al.  Experimental determinations of Mueller scattering matrices for nonspherical particles. , 1978, Applied optics.

[106]  Peng Liu,et al.  Generating Particle Beams of Controlled Dimensions and Divergence: II. Experimental Evaluation of Particle Motion in Aerodynamic Lenses and Nozzle Expansions , 1995 .

[107]  D. Worsnop,et al.  Design, Modeling, Optimization, and Experimental Tests of a Particle Beam Width Probe for the Aerodyne Aerosol Mass Spectrometer , 2005 .

[108]  S. Pandis,et al.  Deliquescence and Hygroscopic Growth of Mixed Inorganic−Organic Atmospheric Aerosol , 2000 .

[109]  A. Laskin,et al.  Sodium nitrate particles: physical and chemical properties during hydration and dehydration, and implications for aged sea salt aerosols , 2004 .

[110]  I. Tang,et al.  Water activities, densities, and refractive indices of aqueous sulfates and sodium nitrate droplets of atmospheric importance , 1994 .

[111]  Andrew G. Glen,et al.  APPL , 2001 .

[112]  K. Okuyama,et al.  Changes in the shape and mobility of colloidal gold nanorods with electrospray and differential mobility analyzer methods. , 2005, Langmuir.

[113]  K. Willeke,et al.  Generation of aerosols and facilities for exposure experiments , 1980 .

[114]  D. S. Gross,et al.  Relative sensitivity factors for alkali metal and ammonium cations in single-particle aerosol time-of-flight mass spectra. , 2000, Analytical chemistry.

[115]  A. Zelenyuk,et al.  Mass Spectrometry of Liquid Aniline Aerosol Particles by IR/UV Laser Irradiation. , 1999, Analytical chemistry.

[116]  Arthur Garforth,et al.  A mass spectrometric study of secondary organic aerosols formed from the photooxidation of anthropogenic and biogenic precursors in a reaction chamber , 2006 .

[117]  A. Zelenyuk,et al.  Measurements and Interpretation of the Effect of a Soluble Organic Surfactant on the Density, Shape and Water Uptake of Hygroscopic Particles , 2007 .

[118]  B. Morrical,et al.  Coupling two-step laser desorption/ionization with aerosol time-of-flight mass spectrometry for the analysis of individual organic particles , 1998 .

[119]  N. Erdmann,et al.  Instrument Characterization and First Application of the Single Particle Analysis and Sizing System (SPASS) for Atmospheric Aerosols , 2005 .

[120]  J. Ortega,et al.  Photooxidation of α-pinene at high relative humidity in the presence of increasing concentrations of NOx , 2008 .

[121]  A. Zelenyuk,et al.  Evaporation of water from particles in the aerodynamic lens inlet: an experimental study. , 2006, Analytical chemistry.

[122]  Zoran Ristovski,et al.  Relation between particle mass and number for submicrometer airborne particles , 1999 .