Spectroscopic Determination of Aerosol pH from Acid-Base Equilibria in Inorganic, Organic, and Mixed Systems

Journal of Physical Chemistry A

Volumn 121, Issue 30, 2017, Pages 5690-5699

  Craig, Rebecca L ^a   Nandy, Lucy ^b   Axson, Jessica L ^a   Dutcher, Cari S ^b   Ault, Andrew P ^a  

^a UNIVERSITY OF MICHIGAN   (United States)

^b University of Minnesota   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 85026921583     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/acs.jpca.7b05261     Document Type: Article

References (82)

1. Prather, K. A.; Hatch, C. D.; Grassian, V. H. Analysis of atmospheric aerosols Annu. Rev. Anal. Chem. 2008, 1, 485-514 10.1146/annurev.anchem.1.031207.113030
2. Jang, M.; Kamens, R. M. Atmospheric secondary aerosol formation by heterogeneous reactions of aldehydes in the presence of a sulfuric acid aerosol catalyst Environ. Sci. Technol. 2001, 35 (24) 4758-4766 10.1021/es010790s
3. Cao, G.; Jang, M. Effects of particle acidity and UV light on secondary organic aerosol formation from oxidation of aromatics in the absence of NOx Atmos. Environ. 2007, 41 (35) 7603-7613 10.1016/j.atmosenv.2007.05.034
4. Tan, Y.; Perri, M. J.; Seitzinger, S. P.; Turpin, B. J. Effects of precursor concentration and acidic sulfate in aqueous glyoxal-OH radical oxidation and implications for secondary organic aerosol Environ. Sci. Technol. 2009, 43 (21) 8105-8112 10.1021/es901742f
5. Wong, J. P. S.; Lee, A. K. Y.; Abbatt, J. P. D. Impacts of sulfate seed acidity and water content on isoprene secondary organic aerosol formation Environ. Sci. Technol. 2015, 49 (22) 13215-13221 10.1021/acs.est.5b02686
6. Riva, M.; Budisulistiorini, S. H.; Chen, Y.; Zhang, Z.; D'Ambro, E. L.; Zhang, X.; Gold, A.; Turpin, B. J.; Thornton, J. A.; Canagaratna, M. R. et al. Chemical characterization of secondary organic aerosol from oxidation of isoprene hydroxyhydroperoxides Environ. Sci. Technol. 2016, 50 (18) 9889-9899 10.1021/acs.est.6b02511
7. Lewandowski, M.; Jaoui, M.; Offenberg, J. H.; Krug, J. D.; Kleindienst, T. E. Atmospheric oxidation of isoprene and 1,3-butadiene: influence of aerosol acidity and relative humidity on secondary organic aerosol Atmos. Chem. Phys. 2015, 15 (7) 3773-3783 10.5194/acp-15-3773-2015
8. Lin, Y.-H.; Zhang, Z.; Docherty, K. S.; Zhang, H.; Budisulistiorini, S. H.; Rubitschun, C. L.; Shaw, S. L.; Knipping, E. M.; Edgerton, E. S.; Kleindienst, T. E. et al. Isoprene epoxydiols as precursors to secondary organic aerosol formation: acid-catalyzed reactive uptake studies with authentic compounds Environ. Sci. Technol. 2012, 46 (1) 250-258 10.1021/es202554c
9. Riva, M.; Bell, D. M.; Hansen, A.-M. K.; Drozd, G. T.; Zhang, Z.; Gold, A.; Imre, D.; Surratt, J. D.; Glasius, M.; Zelenyuk, A. Effect of organic coatings, humidity and aerosol acidity on multiphase chemistry of isoprene epoxydiols Environ. Sci. Technol. 2016, 50 (11) 5580-5588 10.1021/acs.est.5b06050
10. Gao, S.; Ng, N. L.; Keywood, M.; Varutbangkul, V.; Bahreini, R.; Nenes, A.; He, J.; Yoo, K. Y.; Beauchamp, J. L.; Hodyss, R. P. et al. Particle phase acidity and oligomer formation in secondary organic aerosol Environ. Sci. Technol. 2004, 38 (24) 6582-6589 10.1021/es049125k
11. Jang, M.; Carroll, B.; Chandramouli, B.; Kamens, R. M. Particle growth by acid-catalyzed heterogeneous reactions of organic carbonyls on preexisting aerosols Environ. Sci. Technol. 2003, 37 (17) 3828-3837 10.1021/es021005u
12. Surratt, J. D.; Chan, A. W. H.; Eddingsaas, N. C.; Chan, M. N.; Loza, C. L.; Kwan, A. J.; Hersey, S. P.; Flagan, R. C.; Wennberg, P. O.; Seinfeld, J. H. Reactive intermediates revealed in secondary organic aerosol formation from isoprene Proc. Natl. Acad. Sci. U. S. A. 2010, 107 (15) 6640-6645 10.1073/pnas.0911114107
13. Eddingsaas, N. C.; VanderVelde, D. G.; Wennberg, P. O. Kinetics and products of the acid-catalyzed ring-opening of atmospherically relevant butyl epoxy alcohols J. Phys. Chem. A 2010, 114 (31) 8106-8113 10.1021/jp103907c
14. Iinuma, Y.; Boge, O.; Kahnt, A.; Herrmann, H. Laboratory chamber studies on the formation of organosulfates from reactive uptake of monoterpene oxides Phys. Chem. Chem. Phys. 2009, 11 (36) 7985-7997 10.1039/b904025k
15. Riva, M.; Budisulistiorini, S. H.; Zhang, Z.; Gold, A.; Surratt, J. D. Chemical characterization of secondary organic aerosol constituents from isoprene ozonolysis in the presence of acidic aerosol Atmos. Environ. 2016, 130, 5-13 10.1016/j.atmosenv.2015.06.027
16. Rindelaub, J. D.; McAvey, K. M.; Shepson, P. B. The photochemical production of organic nitrates from α-pinene and loss via acid-dependent particle phase hydrolysis Atmos. Environ. 2015, 100, 193-201 10.1016/j.atmosenv.2014.11.010
17. Surratt, J. D.; Gomez-Gonzalez, Y.; Chan, A. W. H.; Vermeylen, R.; Shahgholi, M.; Kleindienst, T. E.; Edney, E. O.; Offenberg, J. H.; Lewandowski, M.; Jaoui, M. et al. Organosulfate formation in biogenic secondary organic aerosol J. Phys. Chem. A 2008, 112 (36) 8345-8378 10.1021/jp802310p
18. Rindelaub, J. D.; Borca, C. H.; Hostetler, M. A.; Slade, J. H.; Lipton, M. A.; Slipchenko, L. V.; Shepson, P. B. The acid-catalyzed hydrolysis of an alpha-pinene-derived organic nitrate: kinetics, products, reaction mechanisms, and atmospheric impact Atmos. Chem. Phys. 2016, 16 (23) 15425-15432 10.5194/acp-16-15425-2016
19. Hu, K. S.; Darer, A. I.; Elrod, M. J. Thermodynamics and kinetics of the hydrolysis of atmospherically relevant organonitrates and organosulfates Atmos. Chem. Phys. 2011, 11 (16) 8307-8320 10.5194/acp-11-8307-2011
20. Prenni, A. J.; DeMott, P. J.; Kreidenweis, S. M. Water uptake of internally mixed particles containing ammonium sulfate and dicarboxylic acids Atmos. Environ. 2003, 37 (30) 4243-4251 10.1016/S1352-2310(03)00559-4
21. Ghorai, S.; Laskin, A.; Tivanski, A. V. Spectroscopic evidence of keto-enol tautomerism in deliquesced malonic acid particles J. Phys. Chem. A 2011, 115 (17) 4373-4380 10.1021/jp112360x
22. Losey, D. J.; Parker, R. G.; Freedman, M. A. pH dependence of liquid-liquid phase separation in organic aerosol J. Phys. Chem. Lett. 2016, 7 (19) 3861-3865 10.1021/acs.jpclett.6b01621
23. You, Y.; Smith, M. L.; Song, M.; Martin, S. T.; Bertram, A. K. Liquid-liquid phase separation in atmospherically relevant particles consisting of organic species and inorganic salts Int. Rev. Phys. Chem. 2014, 33 (1) 43-77 10.1080/0144235X.2014.890786
24. Jang, M.; Czoschke, N. M.; Lee, S.; Kamens, R. M. Heterogeneous atmospheric aerosol production by acid-catalyzed particle-phase reactions Science 2002, 298 (5594) 814-817 10.1126/science.1075798
25. Hennigan, C. J.; Izumi, J.; Sullivan, A. P.; Weber, R. J.; Nenes, A. A critical evaluation of proxy methods used to estimate the acidity of atmospheric particles Atmos. Chem. Phys. 2015, 15 (5) 2775-2790 10.5194/acp-15-2775-2015
26. Guo, H.; Xu, L.; Bougiatioti, A.; Cerully, K. M.; Capps, S. L.; Hite, J. R., Jr; Carlton, A. G.; Lee, S. H.; Bergin, M. H.; Ng, N. L. et al. Fine-particle water and pH in the southeastern United States Atmos. Chem. Phys. 2015, 15 (9) 5211-5228 10.5194/acp-15-5211-2015
27. Guo, H.; Sullivan, A. P.; Campuzano-Jost, P.; Schroder, J. C.; Lopez-Hilfiker, F. D.; Dibb, J. E.; Jimenez, J. L.; Thornton, J. A.; Brown, S. S.; Nenes, A. et al. Fine particle pH and the partitioning of nitric acid during winter in the northeastern United States J. Geophys. Res.-Atmos. 2016, 121 (17) 10355-10376 10.1002/2016JD025311
28. Guo, H.; Liu, J.; Froyd, K. D.; Roberts, J. M.; Veres, P. R.; Hayes, P. L.; Jimenez, J. L.; Nenes, A.; Weber, R. J. Fine particle pH and gas-particle phase partitioning of inorganic species in Pasadena, California, during the 2010 CalNex campaign Atmos. Chem. Phys. 2017, 17 (9) 5703-5719 10.5194/acp-17-5703-2017
29. Liu, M.; Song, Y.; Zhou, T.; Xu, Z.; Yan, C.; Zheng, M.; Wu, Z.; Hu, M.; Wu, Y.; Zhu, T. Fine particle pH during severe haze episodes in northern China Geophys. Res. Lett. 2017, 44, 5213 10.1002/2017GL073210
30. Weber, R. J.; Guo, H.; Russell, A. G.; Nenes, A. High aerosol acidity despite declining atmospheric sulfate concentrations over the past 15 years Nat. Geosci. 2016, 9 (4) 282-285 10.1038/ngeo2665
31. 2O aerosols Atmos. Chem. Phys. 2007, 7 (17) 4639-4659 10.5194/acp-7-4639-2007
32. 2O at tropospheric temperatures J. Phys. Chem. A 1998, 102 (12) 2137-2154 10.1021/jp973042r
33. 2O J. Geophys. Res.-Atmos. 2002, 107 (D14) 1-14
34. Keene, W. C.; Pszenny, A. A. P.; Maben, J. R.; Stevenson, E.; Wall, A. Closure evaluation of size-resolved aerosol pH in the New England coastal atmosphere during summer. J. Geophys. Res.-Atmos. 2004, 109 (D23). 10.1029/2004JD004801
35. Young, A. H.; Keene, W. C.; Pszenny, A. A. P.; Sander, R.; Thornton, J. A.; Riedel, T. P.; Maben, J. R. Phase partitioning of soluble trace gases with size-resolved aerosols in near-surface continental air over northern Colorado, USA, during winter J. Geophys. Res.-Atmos. 2013, 118 (16) 9414-9427 10.1002/jgrd.50655
36. Perraud, V.; Bruns, E. A.; Ezell, M. J.; Johnson, S. N.; Yu, Y.; Alexander, M. L.; Zelenyuk, A.; Imre, D.; Chang, W. L.; Dabdub, D. et al. Nonequilibrium atmospheric secondary organic aerosol formation and growth Proc. Natl. Acad. Sci. U. S. A. 2012, 109 (8) 2836-2841 10.1073/pnas.1119909109
37. O'Brien, R. E.; Neu, A.; Epstein, S. A.; MacMillan, A. C.; Wang, B. B.; Kelly, S. T.; Nizkorodov, S. A.; Laskin, A.; Moffet, R. C.; Gilles, M. K. Physical properties of ambient and laboratory-generated secondary organic aerosol Geophys. Res. Lett. 2014, 41 (12) 4347-4353 10.1002/2014GL060219
38. Virtanen, A.; Joutsensaari, J.; Koop, T.; Kannosto, J.; Yli-Pirila, P.; Leskinen, J.; Makela, J. M.; Holopainen, J. K.; Poeschl, U.; Kulmala, M. et al. An amorphous solid state of biogenic secondary organic aerosol particles Nature 2010, 467 (7317) 824-827 10.1038/nature09455
39. Shiraiwa, M.; Li, Y.; Tsimpidi, A. P.; Karydis, V. A.; Berkemeier, T.; Pandis, S. N.; Lelieveld, J.; Koop, T.; Pöschl, U. Global distribution of particle phase state in atmospheric secondary organic aerosols Nat. Commun. 2017, 8, 15002 10.1038/ncomms15002
40. Jang, M.; Cao, G.; Paul, J. Colorimetric particle acidity analysis of secondary organic aerosol coating on submicron acidic aerosols Aerosol Sci. Technol. 2008, 42 (6) 409-420 10.1080/02786820802154861
41. Keene, W. C.; Pszenny, A. A. P.; Maben, J. R.; Sander, R. Variation of marine aerosol acidity with particle size Geophys. Res. Lett. 2002, 29 (7) 5-1-5-4 10.1029/2001GL013881
42. Feng, J. L.; Guo, Z. G.; Zhang, T. R.; Yao, X. H.; Chan, C. K.; Fang, M. Source and formation of secondary particulate matter in PM2.5 in Asian continental outflow. J. Geophys. Res.-Atmos. 2012, 117 (D3). 10.1029/2011JD016400
43. Metzger, S.; Mihalopoulos, N.; Lelieveld, J. Importance of mineral cations and organics in gas-aerosol partitioning of reactive nitrogen compounds: case study based on MINOS results Atmos. Chem. Phys. 2006, 6 (9) 2549-2567 10.5194/acp-6-2549-2006
44. 2O aerosol system and its gas phase precursors at a pasture site in the Amazon Basin: How relevant are mineral cations and soluble organic acids? J. Geophys. Res.-Atmos. 2005, 110 (D7).
45. Kerminen, V.-M.; Hillamo, R.; Teinilä, K.; Pakkanen, T.; Allegrini, I.; Sparapani, R. Ion balances of size-resolved tropospheric aerosol samples: implications for the acidity and atmospheric processing of aerosols Atmos. Environ. 2001, 35 (31) 5255-5265 10.1016/S1352-2310(01)00345-4
46. Zhang, Q.; Jimenez, J. L.; Worsnop, D. R.; Canagaratna, M. A case study of urban particle acidity and its influence on secondary organic aerosol Environ. Sci. Technol. 2007, 41 (9) 3213-3219 10.1021/es061812j
47. Pathak, R. K.; Yao, X. H.; Chan, C. K. Sampling artifacts of acidity and ionic species in PM2.5 Environ. Sci. Technol. 2004, 38 (1) 254-259 10.1021/es0342244
48. Pathak, R. K.; Wu, W. S.; Wang, T. Summertime PM2.5 ionic species in four major cities of China: nitrate formation in an ammonia-deficient atmosphere Atmos. Chem. Phys. 2009, 9 (5) 1711-1722 10.5194/acp-9-1711-2009
49. Rindelaub, J. D.; Craig, R. L.; Nandy, L.; Bondy, A. L.; Dutcher, C. S.; Shepson, P. B.; Ault, A. P. Direct measurement of pH in individual particles via Raman microspectroscopy and variation in acidity with relative humidity J. Phys. Chem. A 2016, 120 (6) 911-917 10.1021/acs.jpca.5b12699
50. Ault, A. P.; Axson, J. L. Atmospheric aerosol chemistry: Spectroscopic and microscopic advances Anal. Chem. 2017, 89 (1) 430-452 10.1021/acs.analchem.6b04670
51. Ault, A. P.; Zhao, D.; Ebben, C. J.; Tauber, M. J.; Geiger, F. M.; Prather, K. A.; Grassian, V. H. Raman microspectroscopy and vibrational sum frequency generation spectroscopy as probes of the bulk and surface compositions of size-resolved sea spray aerosol particles Phys. Chem. Chem. Phys. 2013, 15 (17) 6206-6214 10.1039/c3cp43899f
52. Creamean, J. M.; Axson, J. L.; Bondy, A. L.; Craig, R. L.; May, N. W.; Shen, H.; Weber, M. H.; Pratt, K. A.; Ault, A. P. Changes in precipitating snow chemistry with location and elevation in the California Sierra Nevada J. Geophys. Res.-Atmos. 2016, 121 (12) 7296-7309 10.1002/2015JD024700
53. Craig, R. L.; Bondy, A. L.; Ault, A. P.; Computer-controlled Raman microspectroscopy (CC-Raman): A method for the rapid characterization of individual atmospheric aerosol particles. Aerosol Sci. Technol. 2017, 51, 10.1080/02786826.2017.1337268
54. Craig, R. L.; Bondy, A. L.; Ault, A. P. Surface enhanced Raman spectroscopy enables observations of previously undetectable secondary organic aerosol components at the individual particle level Anal. Chem. 2015, 87 (15) 7510-7514 10.1021/acs.analchem.5b01507
55. Ebben, C. J.; Ault, A. P.; Ruppel, M. J.; Ryder, O. S.; Bertram, T. H.; Grassian, V. H.; Prather, K. A.; Geiger, F. M. Size-Resolved Sea Spray Aerosol Particles Studied by Vibrational Sum Frequency Generation J. Phys. Chem. A 2013, 117 (30) 6589-6601 10.1021/jp401957k
56. Ault, A. P.; Guasco, T. L.; Baltrusaitis, J.; Ryder, O. S.; Trueblood, J. V.; Collins, D. B.; Ruppel, M. J.; Cuadra-Rodriguez, L. A.; Prather, K. A.; Grassian, V. H. Heterogeneous reactivity of nitric acid with nascent sea spray aerosol: large differences observed between and within individual particles J. Phys. Chem. Lett. 2014, 5, 2493-2500 10.1021/jz5008802
57. Wren, S. N.; Donaldson, D. J. How does deposition of gas phase species affect pH at frozen salty interfaces? Atmos. Chem. Phys. 2012, 12 (21) 10065-10073 10.5194/acp-12-10065-2012
58. Wren, S. N.; Donaldson, D. J. Laboratory study of pH at the air-ice interface J. Phys. Chem. C 2012, 116 (18) 10171-10180 10.1021/jp3021936
59. Lide, D. R. CRC Handbook of Chemistry and Physics: A Ready-Reference Book of Chemical and Physical Data; CRC Press: Boca Raton, FL, 2009.
60. Hood, G. C.; Redlich, O.; Reilly, C. A. Ionization of strong electrolytes. III. Proton magnetic resonance in nitric, perchloric, and hydrochloric acids J. Chem. Phys. 1954, 22 (12) 2067-2071 10.1063/1.1739994
61. Grassian, V. H. Particle chemistry in the environment: Challenges and opportunities J. Phys. Chem. Lett. 2015, 6 (19) 3880-3881 10.1021/acs.jpclett.5b02008
62. Laliberte, M. A model for calculating the heat capacity of aqueous solutions, with updated density and viscosity data J. Chem. Eng. Data 2009, 54 (6) 1725-1760 10.1021/je8008123
63. Clegg, S. L.; Simonson, J. M. A BET model of the thermodynamics of aqueous multicomponent solutions at extreme concentration J. Chem. Thermodyn. 2001, 33 (11) 1457-1472 10.1006/jcht.2001.0869
64. Garrels, R. M.; Christ, C. L. Solutions, Minerals, and Equilibria; Harper & Row Publishers, Inc.: New York, NY, 1965.
65. Kielland, J. Individual activity coefficients of ions in aqueous solutions J. Am. Chem. Soc. 1937, 59 (9) 1675-1678 10.1021/ja01288a032
66. Vargas Jentzsch, P.; Kampe, B.; Ciobota, V.; Roesch, P.; Popp, J. Inorganic salts in atmospheric particulate matter: Raman spectroscopy as an analytical tool Spectrochim. Acta, Part A 2013, 115, 697-708 10.1016/j.saa.2013.06.085
67. -: Raman spectra of nitrate salts and ab initio resonance Raman spectra of nitrate-water complexes J. Chem. Phys. 2001, 114 (14) 6249-6258 10.1063/1.1355657
68. Wren, S. N.; Donaldson, D. J. Glancing-angle Raman study of nitrate and nitric acid at the air-aqueous interface Chem. Phys. Lett. 2012, 522, 1-10 10.1016/j.cplett.2011.10.019
69. Ratcliffe, C. I.; Irish, D. E. Vibrational spectral studies of solutions at elevated temperatures and pressures. VII. Raman spectra and dissociation of nitric acid Can. J. Chem. 1985, 63 (12) 3521-3525 10.1139/v85-577
70. Dutcher, C. S.; Ge, X.; Wexler, A. S.; Clegg, S. L. An isotherm-based thermodynamic model of multicomponent aqueous solutions, applicable over the entire concentration range J. Phys. Chem. A 2013, 117 (15) 3198-3213 10.1021/jp310860p
71. 2- solutions. A combined Raman spectroscopic and thermodynamic study Dalton Trans. 2008, 7, 900-908 10.1039/B713254A
72. 2 and the reciprocal reaction in neutral aqueous solutions between 0° and 38° Biochim. Biophys. Acta, Gen. Subj. 1968, 165 (3) 515-524 10.1016/0304-4165(68)90232-8
73. de Villepin, J.; Novak, A. Vibrational spectra of and isotope effect in hydrogen bonded potassium hydrogen oxalate Spectrosc. Lett. 1971, 4 (1-2) 1-8 10.1080/00387017108078634
74. Gruen, E. C.; Plane, R. A. Raman study of aqueous metal oxalate complexes and related oxalates Inorg. Chem. 1967, 6 (6) 1123-1127 10.1021/ic50052a013
75. Ito, K.; Bernstein, H. J. The vibrational spectra of the formate, acetate, and oxalate ions Can. J. Chem. 1956, 34 (2) 170-178 10.1139/v56-021
76. Hibben, J. H. The raman spectra of oxalic acid J. Chem. Phys. 1935, 3 (11) 675-679 10.1063/1.1749575
77. Ng, J. B.; Shurvell, H. F. Application of factor analysis and band contour resolution techniques to the Raman spectra of acetic acid in aqueous solution J. Phys. Chem. 1987, 91 (2) 496-500 10.1021/j100286a046
78. Nakabayashi, T.; Kosugi, K.; Nishi, N. Liquid structure of acetic acid studied by raman spectroscopy and ab initio molecular orbital calculations J. Phys. Chem. A 1999, 103 (43) 8595-8603 10.1021/jp991501d
79. Nishi, N.; Nakabayashi, T.; Kosugi, K. Raman spectroscopic study on acetic acid clusters in aqueous solutions: dominance of acid-acid association producing microphases J. Phys. Chem. A 1999, 103 (50) 10851-10858 10.1021/jp9929061
80. Sander, R. Compilation of Henry's law constants (version 4.0) for water as solvent Atmos. Chem. Phys. 2015, 15 (8) 4399-4981 10.5194/acp-15-4399-2015
81. Laskin, A.; Moffet, R. C.; Gilles, M. K.; Fast, J. D.; Zaveri, R. A.; Wang, B.; Nigge, P.; Shutthanandan, J. Tropospheric chemistry of internally mixed sea salt and organic particles: Surprising reactivity of NaCl with weak organic acids. J. Geophys. Res.-Atmos. 2012, 117 (D15). 10.1029/2012JD017743
82. Larkin, P. Infrared and Raman Spectroscopy; Principles and Spectral Interpretation; Elsevier, 2011.