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An atomistic explan...
An atomistic explanation of the ethanol-water azeotrope
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- Carravetta, Vincenzo (författare)
- Inst Chem & Phys Proc, CNR IPCF, Via G Moruzzi 1, I-56124 Pisa, Italy.,Institute of Chemical and Physical Processes (CNR-IPCF)
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- de Abreu Gomes, Anderson Herbert (författare)
- Campinas Univ, Inst Phys Gleb Wataghin, Dept Appl Phys, BR-13083859 Campinas, SP, Brazil.;Brazilian Ctr Res Energy & Mat CNPEM, Brazilian Synchrotron Light Lab LNLS, POB 6192, BR-13083970 Campinas, SP, Brazil.,Brazilian Synchroton Light Laboratory,University of Campinas
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- Teixeira Marinho, Ricardo dos Reis (författare)
- Univ Fed Bahia, Inst Phys, BR-40170115 Salvador, BA, Brazil.;Brasilia Univ UnB, Inst Phys, BR-70919970 Brasilia, DF, Brazil.,University of Brasilia,Federal University of Bahia
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- Öhrwall, Gunnar (författare)
- Lund University,Lunds universitet,MAX IV-laboratoriet,MAX IV Laboratory
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- Ågren, Hans (författare)
- Uppsala University,Uppsala universitet,Kemisk och biomolekylär fysik
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- Björneholm, Olle (författare)
- Uppsala University,Uppsala universitet,Kemisk och biomolekylär fysik
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- de Brito, Arnaldo Naves (författare)
- Campinas Univ, Inst Phys Gleb Wataghin, Dept Appl Phys, BR-13083859 Campinas, SP, Brazil.,University of Campinas
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Inst Chem & Phys Proc, CNR IPCF, Via G Moruzzi 1, I-56124 Pisa, Italy Institute of Chemical and Physical Processes (CNR-IPCF) (creator_code:org_t)
- 2022
- 2022
- Engelska.
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Ingår i: Physical Chemistry, Chemical Physics - PCCP. - : Royal Society of Chemistry (RSC). - 1463-9076 .- 1463-9084. ; 24:42, s. 26037-26045
- Relaterad länk:
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http://dx.doi.org/10...
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visa fler...
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https://urn.kb.se/re...
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https://doi.org/10.1...
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https://lup.lub.lu.s...
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Abstract
Ämnesord
Stäng
- Ethanol and water form an azeotropic mixture at an ethanol molecular percentage of similar to 91% (similar to 96% by volume), which prohibits ethanol from being further purified via distillation. Aqueous solutions at different concentrations in ethanol have been studied both experimentally and theoretically. We performed cylindrical micro-jet photoelectron spectroscopy, excited by synchrotron radiation, 70 eV above C1s ionization threshold, providing optimal atomic-scale surface-probing. Large model systems have been employed to simulate, by molecular dynamics, slabs of the aqueous solutions and obtain an atomistic description of both bulk and surface regions. We show how the azeotropic behaviour results from an unexpected concentration-dependence of the surface composition. While ethanol strongly dominates the surface and water is almost completely depleted from the surface for most mixing ratios, the different intermolecular bonding patterns of the two components cause water to penetrate to the surface region at high ethanol concentrations. The addition of surface water increases its relative vapour pressure, giving rise to the azeotropic behaviour.
Ämnesord
- NATURVETENSKAP -- Kemi -- Fysikalisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Physical Chemistry (hsv//eng)
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