Items where Author is "Clegg, Simon"

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Number of items: 58.

Article

Kim, Seonmyeong, Wang, Xiangwen, Jang, Jeongmin, Eom, Kihoon, Clegg, Simon L, Park, Gun-Sik and Di Tommaso, Devis (2020) Hydrogen-Bond Structure and Low-Frequency Dynamics of Electrolyte Solutions:Hydration Numbers from ab Initio Water Reorientation Dynamics and Dielectric Relaxation Spectroscopy. ChemPhysChem, 21 (20). pp. 2334-2346. ISSN 1439-4235

Wang, Xiangwen, Toroz, Dimitrios, Kim, Seonmyeong, Clegg, Simon L, Park, Gun-Sik and Di Tommaso, Devis (2020) Density functional theory based molecular dynamics study of solution composition effects on the solvation shell of metal ions. Physical Chemistry Chemical Physics, 22 (28). pp. 16301-16313. ISSN 1463-9076

Liu, Tengyu, Clegg, Simon L and Abbatt, Jonathan P D (2020) Fast oxidation of sulfur dioxide by hydrogen peroxide in deliquesced aerosol particles. Proceedings of the National Academy of Sciences of the United States of America, 117 (3). pp. 1354-1359. ISSN 1091-6490

Clegg, Simon L., Mazzoleni, Lynn R., Samburova, Vera, Taylor, Nathan F., Collins, Don R., Schum, Simeon K. and Hallar, A. Gannet (2019) Modelling the hygroscopic growth factors of aerosol material containing a large water-soluble organic fraction, collected at the Storm Peak Laboratory. Atmospheric Environment, 214. ISSN 1352-2310

Rovelli, Grazia, Miles, Rachael E. H., Reid, Jonathan P. and Clegg, Simon L. (2017) Hygroscopic properties of aminium sulfate aerosols. Atmospheric Chemistry and Physics, 17 (6). pp. 4369-4385. ISSN 1680-7324

Turner, David, Achterberg, Eric P., Chen, Chen-Tung A., Clegg, Simon, Hatje, Vanessa, Maldonado, Maria, Sander, Sylvia G., van den Berg, Constant M. and Wells, Mona (2016) Towards a quality-controlled and accessible Pitzer model for seawater and related systems. Frontiers in Marine Science, 3. ISSN 2296-7745

Rovelli, Grazia, Miles, Rachael E. H., Reid, Jonathan P. and Clegg, Simon L. (2016) Accurate Measurements of Aerosol Hygroscopic Growth over a Wide Range in Relative Humidity. The Journal of Physical Chemistry A, 120 (25). pp. 4376-4388. ISSN 1089-5639

Clegg, Simon L. and Zalupski, Peter R. (2016) Ion Interaction Models and Measurements of Eu3+ Complexation: DTPA in Aqueous Solutions at 25 °C Containing 1:1 Na+ Salts and Malonate pH Buffer. Industrial and Engineering Chemistry Research, 55 (7). pp. 2097-2118. ISSN 0888-5885

Clegg, Simon L., Zalupski, Peter R. and Dutech, Guy (2016) Ion Interaction Models and Measurements of Eu3+ Complexation: HEDTA in Aqueous Solutions at 25 °c Containing 1:1 Na+ Salts and Citrate pH Buffer. Industrial and Engineering Chemistry Research, 55 (7). pp. 2083-2096. ISSN 0888-5885

Bilde, Merete, Barsanti, Kelley, Booth, Murray, Cappa, Christopher D., Donahue, Neil M., Emanuelsson, Eva U., McFiggans, Gordon, Krieger, Ulrich K., Marcolli, Claudia, Topping, David, Ziemann, Paul, Barley, Mark, Clegg, Simon, Dennis-Smither, Benjamin, Hallquist, Mattias, Hallquist, Åsa M., Khlystov, Andrey, Kulmala, Markku, Mogensen, Ditte, Percival, Carl J., Pope, Francis, Reid, Jonathan P., Ribeiro Da Silva, M. A V, Rosenoern, Thomas, Salo, Kent, Soonsin, Vacharaporn Pia, Yli-Juuti, Taina, Prisle, Nonne L., Pagels, Joakim, Rarey, Juergen, Zardini, Alessandro A. and Riipinen, Ilona (2015) Saturation vapor pressures and transition enthalpies of low-volatility organic molecules of atmospheric relevance:From dicarboxylic acids to complex mixtures. Chemical Reviews, 115 (10). pp. 4115-4156. ISSN 0009-2665

Cai, Chen, Stewart, David J., Reid, Jonathan P., Zhang, Yun Hong, Ohm, Peter, Dutcher, Cari S. and Clegg, Simon L. (2015) Organic component vapor pressures and hygroscopicities of aqueous aerosol measured by optical tweezers. The Journal of Physical Chemistry A, 119 (4). pp. 704-718. ISSN 1089-5639

Sauerwein, Meike and Clegg, Simon (2015) Water Activities and Osmotic Coefficients of Aqueous Solutions of Five Alkyl-Aminium Sulfates and Their Mixtures with H2SO4 at 25 oC. Aerosol Science and Technology, 49 (8). pp. 566-579. ISSN 0278-6826

Zalupski, Peter R., McDowell, Rocklan and Clegg, Simon L. (2014) Isopiestic determination of the osmotic coefficients of NaNO3 + Eu(NO3)3 + H2O at 298.15 K and representation with an extended ion-interaction (Pitzer) model. Journal of Chemical & Engineering Data, 59 (5). pp. 1574-1582. ISSN 0021-9568

Henschel, Henning, Navarro, Juan C Acosta, Yli-Juuti, Taina, Kupiainen-Määttä, Oona, Olenius, Tinja, Ortega, Ismael K., Clegg, Simon L., Kurtén, Theo, Riipinen, Ilona and Vehkamäki, Hanna (2014) Hydration of atmospherically relevant molecular clusters:Computational chemistry and classical thermodynamics. The Journal of Physical Chemistry A, 118 (14). pp. 2599-2611. ISSN 1089-5639

Clegg, Simon L., Qiu, Chong and Zhang, Renyi (2013) The deliquescence behaviour, solubilities, and densities of aqueous solutions of five methyl- and ethyl-aminium sulphate salts. Atmospheric Environment, 73. pp. 145-158. ISSN 1352-2310

Hallar, A. Gannet, Lowenthal, Douglas H., Clegg, Simon L., Samburova, Vera, Taylor, Nathan, Mazzoleni, Lynn R., Zielinska, Barbara K., Kristensen, Thomas B., Chirokova, Galina, McCubbin, Ian B., Dodson, Craig and Collins, Don (2013) Chemical and hygroscopic properties of aerosol organics at Storm Peak Laboratory:AEROSOL ORGANICS AT SPL. Journal of Geophysical Research: Atmospheres, 118 (10). pp. 4767-4779. ISSN 2169-897X

Dutcher, C.S., Ge, X., Wexler, A.S. and Clegg, S.L. (2013) An isotherm-based thermodynamic model of multicomponent aqueous solutions, applicable over the entire concentration range. The Journal of Physical Chemistry A, 117 (15). pp. 3198-3213. ISSN 1089-5639

Dutcher, C.S., Ge, X., Wexler, A.S. and Clegg, S.L. (2012) Statistical mechanics of multilayer sorption:2. Systems containing multiple solutes. The Journal of Physical Chemistry C, 116 (2). pp. 1850-1864. ISSN 1932-7447

Kulmala, M., Asmi, A., Lappalainen, H.K., De Leeuw, G., Riipinen, I., Laakso, L., Makkonen, R., Manninen, H.E., Merikanto, J., Vakkari, V., Vuollekoski, H., Worsnop, D.R., Lihavainen, H., Hyvärinen, A., Kolmonen, P., Laaksonen, A., Kerminen, V.-M., Baltensperger, U., Canonaco, F., Lanz, V.A., Prévôt, A.S.H., Brenguier, J.-L., Gomes, L., Facchini, M.C., Decesari, S., Hansson, H.-C., Krejci, R., Tunved, P., Hov, Ø., Schulz, M., Iversen, T., Kirkevåg, A., Seland, O., Simpson, D., O'Dowd, C.D., Pöschl, U., Shiraiwa, M., Wiedensohler, A., Baars, H., Herrmann, H., Iinuma, Y., Siebert, H., Wehner, B., Boers, R., Roberts, G., Veefkind, J.P., Van Zadelhoff, G.-J., Boucher, O., Halloran, P., Woodward, S., Denier Van Der Gon, H.A.C., Visschedijk, A., Feichter, J., O'Donnell, D., Zhang, K., Laj, P., Lohmann, U., Sierau, B., McFiggans, G., Coe, H., McMeeking, G., Morgan, W.T., Topping, D., Mentel, T., Kiendler-Scharr, A., Wildt, J., Pilinis, C., Vuolo, R., Stohl, A., Burkhart, J.F., Fjaeraa, A.M., Swietlicki, E., Vignati, E., Gilardoni, S., Amann, M., Klimont, Z., Alves, C., Pio, C., Arabas, S., Pawlowska, H., Artaxo, P., Rizzo, L.V., Beddows, D.C.S., Harrison, R.M., Bergström, R., Beukes, J.P., Josipovic, M., Pienaar, J.J., Van Zyl, P.G., Bilde, M., Zardini, A.A., Clegg, S.L., Crumeyrolle, S., D'Anna, B., George, C., Fischer, M., Mirme, S., Fountoukis, C., Pandis, S.N., Hamburger, T., Minikin, A., Petzold, A., Hoffmann, T., Hoose, C., Hu, M., Hõrrak, U., Kanakidou, M., Kiss, G., Komppula, M., Lehtinen, K.E.J., Kristjánsson, J.-E., Vaattovaara, P., Labonnote, L., Nemitz, E., Panwar, T.S., Plass-Duelmer, C., Pryor, S., Reddington, C.L., Carslaw, K.S., Rosenfeld, D., Schwarz, J., Sellegri, K., Shen, X.J., Sun, J.Y. and Ammann, M. (2011) General overview:European Integrated project on Aerosol Cloud Climate and Air Quality interactions (EUCAARI)-integrating aerosol research from nano to global scales. Atmospheric Chemistry and Physics, 11 (24). pp. 13061-130143. ISSN 1680-7316

Clegg, SL and Wexler, AS (2011) Densities and Apparent Molar Volumes of Atmospherically Important Electrolyte Solutions. 1. The Solutes H2SO4, HNO3, HCl, Na2SO4, NaNO3, NaCl, (NH4)2SO4, NH4NO3, and NH4Cl from 0 to 50 °C, Including Extrapolations to Very Low Temperature and to the Pure Liquid State, and NaHSO4, NaOH, and NH3at 25 °C. The Journal of Physical Chemistry A, 115 (15). pp. 3393-3460. ISSN 1089-5639

Clegg, SL and Wexler, AS (2011) Densities and Apparent Molar Volumes of Atmospherically Important Electrolyte Solutions. 2. The Systems H+−HSO4−−SO42−−H2O from 0 to 3 mol kg−1as a Function of Temperature and H+−NH4+−HSO4−−SO42−−H2O from 0 to 6 mol kg−1at 25 °C Using a Pitzer Ion Interaction Model, and NH4HSO4−H2O and (NH4)3H(SO4)2−H2O over the Entire Concentration Range. The Journal of Physical Chemistry A, 115 (15). pp. 3461-3474. ISSN 1089-5639

Dutcher, Cari S., Ge, Xinlei, Wexler, Anthony S. and Clegg, Simon L. (2011) Statistical Mechanics of Multilayer Sorption: Extension of the Brunauer–Emmett–Teller (BET) and Guggenheim–Anderson–de Boer (GAB) Adsorption Isotherms. The Journal of Physical Chemistry C, 115 (33). pp. 16474-16487. ISSN 1932-7447

Ge, X, Wexler, AS and Clegg, SL (2011) Atmospheric amines - Part II. Thermodynamic properties and gas/particle partitioning. Atmospheric Environment, 45 (3). pp. 561-577.

Ge, X, Wexler, AS and Clegg, SL (2011) Atmospheric amines - Part I. A review. Atmospheric Environment, 45 (3). pp. 524-546.

Chen, Jianjun, Jakober, Chris, Clegg, Simon and Kleeman, Michael J. (2010) Theoretical versus observed gas-particle partitioning of carbonyl emissions from motor vehicles. Journal of the Air and Waste Management Association, 60 (10). pp. 1237-1244. ISSN 2162-2906

Dutcher, Cari S., Wexler, Anthony S. and Clegg, Simon L. (2010) Surface tensions of inorganic multicomponent aqueous electrolyte solutions and melts. Journal of Physical Chemistry A, 114 (46). pp. 12216-12230.

Hargreaves, G, Kwamena, N-OA, Zhang, YH, Butler, JR, Rushworth, S, Clegg, S and Reid, JP (2010) Measurements of the equilibrium size of supersaturated aqueous sodium chloride droplets at low relative humidity using aerosol optical tweezers and an electrodynamic balance. Journal of Physical Chemistry A, 114 (4). pp. 1806-1815.

Pope, FD, Harper, L, Dennis-Smither, BJ, Griffiths, PT, Clegg, SL and Cox, RA (2010) Laboratory and modelling study of the hygroscopic properties of two model humic acid aerosol particles. Journal of Aerosol Science, 41 (5). pp. 457-467.

Pope, Frances D., Tong, Hai-Jie, Dennis-Smither, Ben J., Griffiths, Paul T., Clegg, Simon L., Reid, Jonathan P. and Cox, R. Anthony (2010) Studies of single aerosol particles containing malonic acid, glutaric acid, and their mixtures with sodium chloride. II. Liquid-state vapor pressures of the acids. Journal of Physical Chemistry A, 114 (37). pp. 10156-10165.

Pope, Francis D., Dennis-Smither, Ben J., Griffiths, Paul T., Clegg, SL and Cox, R. Anthony (2010) Studies of single aerosol particles containing malonic acid, glutaric acid, and their mixtures with sodium chloride. I. Hygroscopic growth. Journal of Physical Chemistry A, 114 (16). pp. 5335-5341.

Rard, Joseph A., Wijesinghe, Ananda M. and Clegg, Simon L. (2010) Simplification of the clegg-pitzer-brimblecombe mole-fraction composition based model equations for binary solutions, conversion of the margules expansion terms into a virial form, and comparison with an extended ion-interaction (Pitzer) model. Journal of Solution Chemistry, 39 (12). pp. 1845-1864. ISSN 1572-8927

Clegg, SL and Wexler, AS (2009) Atmospheric chemistry on the web. Electronic Newsletter of the Numerical Algorithms Group (78).

Rard, JA, Clegg, SL and Palmer, DA (2008) Isopiestic determination of the osmotic and activity coefficients of Li2SO4(aq) at T=298.15 and 323.15 K, and representation with an extended ion-interaction (Pitzer) model. Journal of Solution Chemistry, 37 (11). pp. 1625-1626. ISSN 1572-8927

Hanford, Kate L., Mitchem, Laura, Reid, Jonathan P., Clegg, Simon L., Topping, David O. and McFiggans, Gordon B. (2008) Comparative thermodynamic studies of aqueous glutaric acid, ammonium sulfate and sodium chloride aerosol at high humidity. Journal of Physical Chemistry A, 112 (39). pp. 9413-9422.

Tong, Chinghang, Clegg, Simon L. and Seinfeld, John H. (2008) Comparison of activity coefficient models for atmospheric aerosols containing mixtures of electrolytes, organics, and water. Atmospheric Environment, 42 (21). pp. 5459-5482.

Clegg, SL, Kleeman, MJ, Griffin, RJ and Seinfeld, JH (2008) Effects of uncertainties in the thermodynamic properties of aerosol components in an air quality model - Part 1: Treatment of inorganic electrolytes and organic compounds in the condensed phase. Atmospheric Chemistry and Physics, 8 (4). pp. 1057-1085.

Clegg, SL, Kleeman, MJ, Griffin, RJ and Seinfeld, JH (2008) Effects of uncertainties in the thermodynamic properties of aerosol components in an air quality model - Part 2: Predictions of the vapour pressures of organic compounds. Atmospheric Chemistry and Physics, 8 (4). pp. 1087-1103.

Rard, JA, Clegg, SL and Palmer, DA (2007) Isopiestic determination of the osmotic and activity coefficients of Li2SO4(aq) at T=298.15 and 323.15 K, and representation with an extended ion-interaction (Pitzer) model. Journal of Solution Chemistry, 36 (11-12). pp. 1347-1371. ISSN 1572-8927

Kleeman, Michael J., Ying, Qi, Lu, Jin, Mysliwiec, Mitchel J., Griffin, Robert J., Chen, Jianjun and Clegg, Simon (2007) Source apportionment of secondary organic aerosol during a severe photochemical smog episode. Atmospheric Environment, 41 (3). pp. 576-591.

Clegg, SL, Kleeman, MJ, Griffin, RJ and Seinfeld, JH (2007) Effects of uncertainties in the thermodynamic properties of aerosol components in an air quality model - Part I: Treatment of inorganic electrolytes and organic compounds in the condensed phase. Atmospheric Chemistry and Physics Discussions, 7 (4). pp. 10971-11047. ISSN 1680-7375

Clegg, SL, Kleeman, MJ, Griffin, RJ and Seinfeld, JH (2007) Effects of uncertainties in the thermodynamic properties of aerosol components in an air quality model - Part II: Predictions of the vapour pressures of organic compounds. Atmospheric Chemistry and Physics Discussions, 7 (4). pp. 11049-11089. ISSN 1680-7375

Clegg, SL and Seinfeld, JH (2006) Thermodynamic models of aqueous solutions containing inorganic electrolytes and dicarboxylic acids at 298.15 K. 1. the acids as nondissociating components. Journal of Physical Chemistry A, 110 (17). pp. 5692-5717.

Clegg, SL and Seinfeld, JH (2006) Thermodynamic models of aqueous solutions containing inorganic electrolytes and dicarboxylic acids at 298.15 K. 2. systems including dissociation equilibria. Journal of Physical Chemistry A, 110 (17). pp. 5718-5734.

Clegg, SL and Brimblecombe, P (2005) Comment on the “Thermodynamic dissociation constant of the bisulfate ion from raman and ion interaction modeling studies of aqueous sulfuric acid at low temperatures”. The Journal of Physical Chemistry A, 109 (11). pp. 2703-2706. ISSN 1089-5639

Clegg, Simon L., Rard, Joseph A. and Miller, Donald G. (2005) Isopiestic determination of the osmotic and activity coefficients of NaCl + SrCl2+ H2O at 298.15 K and representation with an extended ion-interaction model. Journal of Chemical & Engineering Data, 50 (4). pp. 1162-1170. ISSN 0021-9568

Clegg, SL and Seinfeld, JH (2004) Improvement of the Zdanovskii−Stokes−Robinson model for mixtures containing solutes of different charge types. The Journal of Physical Chemistry A, 108 (6). pp. 1008-1017. ISSN 1089-5639

Ervens, Barbara, Feingold, Graham, Clegg, Simon L. and Kreidenweis, Sonia M. (2004) A modeling study of aqueous production of dicarboxylic acids: 2. Implications for cloud microphysics. Journal of Geophysical Research, 109 (D15). ISSN 0148-0227

Clegg, Simon L., Seinfeld, John H. and Edney, Edward O. (2003) Thermodynamic modelling of aqueous aerosols containing electrolytes and dissolved organic compounds. II. An extended Zdanovskii–Stokes–Robinson approach. Journal of Aerosol Science, 34 (6). pp. 667-690.

Rard, Joseph A., Clegg, Simon L. and Platford, Robert F. (2003) Thermodynamics of {zNaCl+(1−z)Na2SO4}(aq) from T=278.15K to T=318.15K, and representation with an extended ion-interaction (Pitzer) model. Journal of Chemical Thermodynamics, 35 (6). pp. 967-1008.

Palmer, DA, Rard, JA and Clegg, SL (2002) Isopiestic determination of the osmotic and activity coefficients of Rb 2SO4 (aq) and Cs 2SO 4(aq) at T= (298.15 and 323.15) K, and representation with an extended ion-interaction (Pitzer) model. Journal of Chemical Thermodynamics, 34 (1). pp. 63-102.

Wexler, AS and Clegg, SL (2002) Atmospheric aerosol models for systems including the ions H+, NH4+, Na+, SO42−, NO3−, Cl−, Br−, and H2O. Journal of Geophysical Research, 107 (D14). ISSN 0148-0227

Ally, Moonis R., Clegg, Simon L., Braunstein, Jerry and Simonson, John M. (2001) Activities and osmotic coefficients of tropospheric aerosols: (NH4)2SO4(aq) and NaCl(aq). Journal of Chemical Thermodynamics, 33 (8). pp. 905-915.

Clegg, SL, Seinfeld, JH and Brimblecombe, P (2001) Thermodynamic modelling of aqueous aerosols containing electrolytes and dissolved organic compounds. Journal of Aerosol Science, 32. pp. 713-738.

Clegg, SL and Simonson, JM (2001) A BET model of the thermodynamics of aqueous multicomponent solutions at extreme concentration. Journal of Chemical Thermodynamics, 33 (11). pp. 1457-1472.

Cocker, David R., Clegg, Simon L., Flagan, Richard C. and Seinfeld, John H. (2001) The effect of water on gas–particle partitioning of secondary organic aerosol. Part I: α-pinene/ozone system. Atmospheric Environment, 35 (35). pp. 6049-6072.

O'Dowd, Colin D., Lowe, Jason A., Clegg, Nicola, Smith, Michael H. and Clegg, Simon L. (2000) Modeling heterogeneous sulphate production in maritime stratiform clouds. Journal of Geophysical Research: Atmospheres, 105 (D6). pp. 7143-7160. ISSN 2169-897X

Rard, Joseph A., Clegg, Simon L. and Palmer, Donald A. (2000) Isopiestic determination of the osmotic coefficients of Na2SO4(aq) at 25 and 50°C, and representation with ion-interaction (Pitzer) and mole fraction thermodynamic models. Journal of Solution Chemistry, 29 (1). pp. 1-49. ISSN 1572-8927

Zhang, Yang, Seigneur, Christian, Seinfeld, John H., Jacobson, Mark, Clegg, Simon L. and Binkowski, Francis S. (2000) A comparative review of inorganic aerosol thermodynamic equilibrium modules: similarities, differences, and their likely causes. Atmospheric Environment, 34 (1). pp. 117-137.

This list was generated on Thu Oct 29 03:33:01 2020 GMT.