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of 142
pro vyhledávání: '"Simon L. Clegg"'
The substance Tris (or THAM, 2-amino-2-hydroxymethyl-1,3-propanediol, CAS 77–86-1), and its protonated form TrisH+, is used in the preparation of pH buffer solutions for applications in seawater chemistry. The development of an acid-base chemical s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6bc7963b38d21423c596dc22a1789aa7
https://www.vliz.be/imisdocs/publications/99/380099.pdf
https://www.vliz.be/imisdocs/publications/99/380099.pdf
Autor:
Simon L. Clegg, Kihoon Eom, Xiangwen Wang, Devis Di Tommaso, Seonmyeong Kim, Jeongmin Jang, Gun-Sik Park
Publikováno v:
Chemphyschem
We present an atomistic simulation scheme for the determination of the hydration number (h) of aqueous electrolyte solutions based on the calculation of the water dipole reorientation dynamics. In this methodology, the time evolution of an aqueous el
Autor:
Paul O. Wennberg, Huisheng Bian, Donald R. Blake, Glenn S. Diskin, Douglas A. Day, Duseong S. Jo, Jeffrey R. Pierce, Roya Bahreini, Joseph M. Katich, John D. Crounse, Jason C. Schroder, Hannah M. Allen, Joel A. Thornton, Alma Hodzic, Pedro Campuzano-Jost, Jose L. Jimenez, A. Kupc, John B. Nowak, Mian Chin, Felipe D. Lopez-Hilfiker, Kostas Tsigaridis, Michael J. Cubison, John K. Kodros, Simon L. Clegg, Weiwei Hu, Michelle J. Kim, Benjamin A. Nault, Christina Williamson, Peter F. DeCarlo, Gregory P. Schill, Peter R. Colarco, Eric Scheuer, Brett B. Palm, Eloise A. Marais, J. Andrew Neuman, Ann M. Middlebrook, Fabien Paulot, Jack E. Dibb
Publikováno v:
Communications Earth & Environment. 2
The inorganic fraction of fine particles affects numerous physicochemical processes in the atmosphere. However, there is large uncertainty in its burden and composition due to limited global measurements. Here, we present observations from eleven dif
Autor:
Eric P. Achterberg, Florence K. A. Gregson, Jonathan P. Reid, Pablo Lodeiro, Simon L. Clegg, David R. Turner
Publikováno v:
Repositorio Abierto de la UdL
Universitad de Lleida
et al. 2021, ' Solid–Liquid Equilibria in Aqueous Solutions of Tris, Tris-NaCl, Tris-TrisHCl, and Tris-(TrisH)2SO4 at Temperatures from 5 to 45 °C ', Journal of Chemical and Engineering Data, vol. 66, no. 1, pp. 437–455 . https://doi.org/10.1021/acs.jced.0c00744
Universitad de Lleida
et al. 2021, ' Solid–Liquid Equilibria in Aqueous Solutions of Tris, Tris-NaCl, Tris-TrisHCl, and Tris-(TrisH)2SO4 at Temperatures from 5 to 45 °C ', Journal of Chemical and Engineering Data, vol. 66, no. 1, pp. 437–455 . https://doi.org/10.1021/acs.jced.0c00744
The substance Tris (or THAM, 2-amino-2-hydroxymethyl-1,3-propanediol) is used in the preparation of pH buffer solutions for applications in natural water chemistry, including seawater. The development of a chemical speciation model of buffer solution
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::405748af10f3f2833246733c6c06c2e0
https://hdl.handle.net/10459.1/71113
https://hdl.handle.net/10459.1/71113
Autor:
Xiangwen Wang, Seonmyeong Kim, Simon L. Clegg, Dimitrios Toroz, Devis Di Tommaso, Gun-Sik Park
We present an ab initio molecular dynamics study of the alkali metal ions Li+, Na+, K+ and Cs+, and of the alkaline earth metal ions Mg2+ and Ca2+ in both pure water and electrolyte solutions containing the counterions Cl- and SO42-. Simulations were
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2493ebbdfc6370147eea8f8a7062a75e
https://ueaeprints.uea.ac.uk/id/eprint/75952/
https://ueaeprints.uea.ac.uk/id/eprint/75952/
Autor:
Simon L. Clegg, Gun-Sik Park, Seonmyeong Kim, Dimitrios Toroz, Devis Di Tommaso, Xiangwen Wang
As natural aqueous solutions are far from being pure water, being rich in ions, the properties of solvated ions are of relevance for a wide range of systems, including biological and geochemical environments. We conducted ab initio and classical MD s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::41348f97b22ff703a33c177979232254
https://doi.org/10.26434/chemrxiv.12048738.v1
https://doi.org/10.26434/chemrxiv.12048738.v1
Autor:
Felipe D. Lopez-Hilfiker, John K. Kodros, Peter R. Colarco, D. A. Day, Huisheng Bian, Duseong S. Jo, Kostas Tsigaridis, Pedro Campuzano-Jost, Joel A. Thornton, John B. Nowak, Roya Bahreini, Benjamin A. Nault, Simon L. Clegg, Jeffrey R. Pierce, Andrew Neuman, Mian Chin, Eloise A. Marais, Jose L. Jimenez, Ann M. Middlebrook
The inorganic composition of aerosol impacts numerous chemical and physical processes and properties. However, many chemical transport models show large variability in both the concentration of the inorganic aerosols and their precursors (up to 3 ord
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fc913798223aaa396c09d060a46d8d15
https://doi.org/10.5194/egusphere-egu2020-11366
https://doi.org/10.5194/egusphere-egu2020-11366
Publikováno v:
Proc Natl Acad Sci U S A
Significance Atmospheric sulfate aerosol particles contribute significantly to poor air quality and direct forcing of the Earth’s climate. However, air pollution and climate models simulate the formation of sulfate using acid rain chemistry known t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::352a5a1af1f873ae070ecbddcff30d91
https://ueaeprints.uea.ac.uk/id/eprint/74422/
https://ueaeprints.uea.ac.uk/id/eprint/74422/
Autor:
Havala O. T. Pye, Athanasios Nenes, Becky Alexander, Andrew P. Ault, Mary C. Barth, Simon L. Clegg, Jeffrey L. Collett Jr., Kathleen M. Fahey, Christopher J. Hennigan, Hartmut Herrmann, Maria Kanakidou, James T. Kelly, I-Ting Ku, V. Faye McNeill, Nicole Riemer, Thomas Schaefer, Guoliang Shi, Andreas Tilgner, John T. Walker, Tao Wang, Rodney Weber, Jia Xing, Rahul A. Zaveri, Andreas Zuend
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2c44c7439c19a191d347b5447ec2ddc9
https://doi.org/10.5194/acp-2019-889-supplement
https://doi.org/10.5194/acp-2019-889-supplement
Publikováno v:
Industrial & Engineering Chemistry Research. 55:2083-2096