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  1. Article ; Online: Freezing of Dilute Aqueous-Alcohol Nanodroplets: The Effect of Molecular Structure.

    Sun, Tong / Wyslouzil, Barbara E

    The journal of physical chemistry. B

    2021  Volume 125, Issue 44, Page(s) 12329–12343

    Abstract: We investigate vapor-liquid nucleation and subsequent freezing of aqueous-alcohol nanodroplets containing 1-pentanol, 1-hexanol, and their 3-isomers. The aerosols are produced in a supersonic nozzle, where condensation and freezing are characterized by ... ...

    Abstract We investigate vapor-liquid nucleation and subsequent freezing of aqueous-alcohol nanodroplets containing 1-pentanol, 1-hexanol, and their 3-isomers. The aerosols are produced in a supersonic nozzle, where condensation and freezing are characterized by static pressure and Fourier transform Infrared (FTIR) spectroscopy measurements. At fixed water concentrations, the presence of alcohol enables particle formation at higher temperatures since both the equilibrium vapor pressure above the critical clusters and the cluster interfacial free energy are decreased relative to the pure water case. The disappearance of a small free OH peak, observed for pure water droplets, when alcohols are added and shifts in the CH peaks as a function of alcohol chain length reveal varying surface partitioning preferences of the alcohols. Changes in the FTIR spectra during freezing, as well as changes in the ice component derived from self-modeling curve resolution analysis, show that 1-hexanol and 1-pentanol perturb freezing less than their branched isomers do. This behavior may reflect the molecular footprints of the alcohols, the available surface area of the droplets, and not only alcohol solubility. The presence of alcohols also lowers the freezing temperature relative to that of pure water, but when there is clear evidence for the formation of ice, the ice nucleation rates change by less than a factor of ∼2-3 for all cases studied.
    Language English
    Publishing date 2021-10-28
    Publishing country United States
    Document type Journal Article
    ISSN 1520-5207
    ISSN (online) 1520-5207
    DOI 10.1021/acs.jpcb.1c06188
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  2. Article: Freezing of Dilute Aqueous-Alcohol Nanodroplets: The Effect of Molecular Structure

    Sun, Tong / Wyslouzil, Barbara E.

    Journal of physical chemistry. 2021 Oct. 28, v. 125, no. 44

    2021  

    Abstract: We investigate vapor–liquid nucleation and subsequent freezing of aqueous-alcohol nanodroplets containing 1-pentanol, 1-hexanol, and their 3-isomers. The aerosols are produced in a supersonic nozzle, where condensation and freezing are characterized by ... ...

    Abstract We investigate vapor–liquid nucleation and subsequent freezing of aqueous-alcohol nanodroplets containing 1-pentanol, 1-hexanol, and their 3-isomers. The aerosols are produced in a supersonic nozzle, where condensation and freezing are characterized by static pressure and Fourier transform Infrared (FTIR) spectroscopy measurements. At fixed water concentrations, the presence of alcohol enables particle formation at higher temperatures since both the equilibrium vapor pressure above the critical clusters and the cluster interfacial free energy are decreased relative to the pure water case. The disappearance of a small free OH peak, observed for pure water droplets, when alcohols are added and shifts in the CH peaks as a function of alcohol chain length reveal varying surface partitioning preferences of the alcohols. Changes in the FTIR spectra during freezing, as well as changes in the ice component derived from self-modeling curve resolution analysis, show that 1-hexanol and 1-pentanol perturb freezing less than their branched isomers do. This behavior may reflect the molecular footprints of the alcohols, the available surface area of the droplets, and not only alcohol solubility. The presence of alcohols also lowers the freezing temperature relative to that of pure water, but when there is clear evidence for the formation of ice, the ice nucleation rates change by less than a factor of ∼2–3 for all cases studied.
    Keywords Fourier transform infrared spectroscopy ; Gibbs free energy ; ice ; ice nucleation ; pentanols ; solubility ; static pressure ; surface area ; temperature ; vapor pressure
    Language English
    Dates of publication 2021-1028
    Size p. 12329-12343.
    Publishing place American Chemical Society
    Document type Article
    ISSN 1520-5207
    DOI 10.1021/acs.jpcb.1c06188
    Database NAL-Catalogue (AGRICOLA)

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  3. Article ; Online: The effects of methanol clustering on methanol-water nucleation.

    Sun, Tong / Wilemski, Gerald / Hale, Barbara N / Wyslouzil, Barbara E

    The Journal of chemical physics

    2022  Volume 157, Issue 18, Page(s) 184301

    Abstract: The formation of subcritical methanol clusters in the vapor phase is known to complicate the analysis of nucleation measurements. Here, we investigate how this process affects the onset of binary nucleation as dilute water-methanol mixtures in nitrogen ... ...

    Abstract The formation of subcritical methanol clusters in the vapor phase is known to complicate the analysis of nucleation measurements. Here, we investigate how this process affects the onset of binary nucleation as dilute water-methanol mixtures in nitrogen carrier gas expand in a supersonic nozzle. These are the first reported data for water-methanol nucleation in an expansion device. We start by extending an older monomer-dimer-tetramer equilibrium model to include larger clusters, relying on Helmholtz free energy differences derived from Monte Carlo simulations. The model is validated against the pressure/temperature measurements of Laksmono et al. [Phys. Chem. Chem. Phys. 13, 5855 (2011)] for dilute methanol-nitrogen mixtures expanding in a supersonic flow prior to the appearance of liquid droplets. These data are well fit when the maximum cluster size i
    Language English
    Publishing date 2022-10-21
    Publishing country United States
    Document type Journal Article
    ZDB-ID 3113-6
    ISSN 1089-7690 ; 0021-9606
    ISSN (online) 1089-7690
    ISSN 0021-9606
    DOI 10.1063/5.0120876
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  4. Article ; Online: The freezing behavior of aqueous

    Sun, Tong / Ben-Amotz, Dor / Wyslouzil, Barbara E

    Physical chemistry chemical physics : PCCP

    2021  Volume 23, Issue 16, Page(s) 9991–10005

    Abstract: We generate water-rich aerosols containing 1-propanol and 1-pentanol in a supersonic nozzle to study the effects of these solutes on the freezing behavior of water. Condensation and freezing are characterized by two complementary techniques, pressure ... ...

    Abstract We generate water-rich aerosols containing 1-propanol and 1-pentanol in a supersonic nozzle to study the effects of these solutes on the freezing behavior of water. Condensation and freezing are characterized by two complementary techniques, pressure trace measurements and Fourier Transform Infrared spectroscopy. When 1-pentanol and 1-propanol are present, condensation occurs at higher temperatures because particle formation from the vapor phase is enhanced by the decrease in interfacial free energy of mixed aqueous-alcohol critical clusters relative to those of pure water. FTIR results suggest that when ∼6 nm radius droplets freeze, the tetrahedral structure of the ice is well preserved up to an overall alcohol mole fraction of 0.031 for 1-propanol and 0.043 for 1-pentanol. In this concentration range, the ice nucleation temperature decreases continuously with increasing 1-propanol concentration, whereas the onset of freezing is not significantly perturbed by 1-pentanol up to a mole fraction of 0.03. Furthermore, once freezing starts the ice nucleation rates in the aqueous-alcohol droplets are very close to those for pure water. In contrast, at the highest mole fractions of either alcohol it is not clear whether droplets freeze to form crystalline ice since the final state of the particles cannot be adequately characterized with the available experimental techniques.
    Language English
    Publishing date 2021-04-28
    Publishing country England
    Document type Journal Article
    ZDB-ID 1476244-4
    ISSN 1463-9084 ; 1463-9076
    ISSN (online) 1463-9084
    ISSN 1463-9076
    DOI 10.1039/d0cp06131j
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  5. Article ; Online: CO

    Park, Yensil / Wyslouzil, Barbara E

    Physical chemistry chemical physics : PCCP

    2019  Volume 21, Issue 16, Page(s) 8295–8313

    Abstract: The classical picture invoked for heterogeneous nucleation is frequently that of a liquid condensing onto an immiscible solid particle. Here, we examine heterogeneous nucleation of CO2 onto particles comprised of n-pentane or n-hexane under conditions ... ...

    Abstract The classical picture invoked for heterogeneous nucleation is frequently that of a liquid condensing onto an immiscible solid particle. Here, we examine heterogeneous nucleation of CO2 onto particles comprised of n-pentane or n-hexane under conditions where CO2 should be a solid and the seed particles may be liquid or solid. Although CO2 condensed under all but one of the six conditions investigated, these experiments do not easily fit into the framework of standard heterogeneous nucleation experiments. Rather they explore unconventional regimes of heterogeneous nucleation in which the state of the seed particle may both affect whether deposition can proceed, and, in turn, be influenced by the presence of the condensing species. The work complements the earlier work of Tanimura et al. [RSC Adv., 2015, 5, 105537-105550] that investigated CO2 condensation onto ice nanoparticles, by using seed particles comprised of non-polar compounds that form and freeze under conditions where CO2 is already supersaturated with respect to the solid ice. In some cases, the conditions for seed formation approach the limit of homogeneous CO2 nucleation. Vibrational spectroscopy measurements help pinpoint where CO2 starts to condense. Furthermore, these IR measurements suggest that the n-alkanes never freeze in the presence of CO2, even if the temperatures are well below those required for them to freeze when CO2 is absent. Over the temperature range 65 < T/K < 140, the conditions corresponding to the onset of CO2 heterogeneous nucleation on pre-existing seed particle almost all lie very close to the extrapolated vapor-liquid equilibrium line of CO2 for a broad range of seed materials.
    Language English
    Publishing date 2019-04-15
    Publishing country England
    Document type Journal Article
    ZDB-ID 1476244-4
    ISSN 1463-9084 ; 1463-9076
    ISSN (online) 1463-9084
    ISSN 1463-9076
    DOI 10.1039/c9cp00967a
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  6. Article ; Online: Vapor-phase nucleation of n-pentane, n-hexane, and n-heptane: Critical cluster properties.

    Ogunronbi, Kehinde E / Wyslouzil, Barbara E

    The Journal of chemical physics

    2019  Volume 151, Issue 15, Page(s) 154307

    Abstract: The first and second nucleation theorems provide a way to determine the molecular content and excess internal energies of critical clusters, which rely solely on experimental nucleation rates measured at constant temperatures and supersaturations, ... ...

    Abstract The first and second nucleation theorems provide a way to determine the molecular content and excess internal energies of critical clusters, which rely solely on experimental nucleation rates measured at constant temperatures and supersaturations, respectively. Here, we report the size n
    Language English
    Publishing date 2019-10-21
    Publishing country United States
    Document type Journal Article
    ZDB-ID 3113-6
    ISSN 1089-7690 ; 0021-9606
    ISSN (online) 1089-7690
    ISSN 0021-9606
    DOI 10.1063/1.5123284
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  7. Article ; Online: Ice nucleation rates near ∼225 K.

    Amaya, Andrew J / Wyslouzil, Barbara E

    The Journal of chemical physics

    2018  Volume 148, Issue 8, Page(s) 84501

    Abstract: We have measured the ice nucleation rates, ... ...

    Abstract We have measured the ice nucleation rates, J
    Language English
    Publishing date 2018-02-28
    Publishing country United States
    Document type Journal Article
    ZDB-ID 3113-6
    ISSN 1089-7690 ; 0021-9606
    ISSN (online) 1089-7690
    ISSN 0021-9606
    DOI 10.1063/1.5019362
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  8. Article ; Online: Mechanism of surface freezing of alkanes.

    Modak, Viraj P / Wyslouzil, Barbara E / Singer, Sherwin J

    The Journal of chemical physics

    2020  Volume 153, Issue 22, Page(s) 224501

    Abstract: Using molecular dynamics simulation of octane ( ... ...

    Abstract Using molecular dynamics simulation of octane (C
    Language English
    Publishing date 2020-12-02
    Publishing country United States
    Document type Journal Article
    ZDB-ID 3113-6
    ISSN 1089-7690 ; 0021-9606
    ISSN (online) 1089-7690
    ISSN 0021-9606
    DOI 10.1063/5.0031761
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  9. Article ; Online: Structural interactions in polymer-stabilized magnetic nanocomposites.

    Nabar, Gauri M / Dehankar, Abhilasha V / Jergens, Elizabeth / Hansen, Benworth B / Johnston-Halperin, Ezekiel / Sheffield, Matthew / Sangoro, Joshua / Wyslouzil, Barbara E / Winter, Jessica O

    Soft matter

    2024  Volume 20, Issue 18, Page(s) 3732–3741

    Abstract: Superparamagnetic iron oxide nanoparticles (SPIONs) have attracted significant attention because of their nanoscale magnetic properties. SPION aggregates may afford emergent properties, resulting from dipole-dipole interactions between neighbors. Such ... ...

    Abstract Superparamagnetic iron oxide nanoparticles (SPIONs) have attracted significant attention because of their nanoscale magnetic properties. SPION aggregates may afford emergent properties, resulting from dipole-dipole interactions between neighbors. Such aggregates can display internal order, with high packing fractions (>20%), and can be stabilized with block co-polymers (BCPs), permitting design of tunable composites for potential nanomedicine, data storage, and electronic sensing applications. Despite the routine use of magnetic fields for aggregate actuation, the impact of those fields on polymer structure, SPION ordering, and magnetic properties is not fully understood. Here, we report that external magnetic fields can induce ordering in SPION aggregates that affect their structure, inter-SPION distance, magnetic properties, and composite
    Language English
    Publishing date 2024-05-08
    Publishing country England
    Document type Journal Article
    ZDB-ID 2191476-X
    ISSN 1744-6848 ; 1744-683X
    ISSN (online) 1744-6848
    ISSN 1744-683X
    DOI 10.1039/d4sm00008k
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  10. Article ; Online: Overview: Homogeneous nucleation from the vapor phase-The experimental science.

    Wyslouzil, Barbara E / Wölk, Judith

    The Journal of chemical physics

    2016  Volume 145, Issue 21, Page(s) 211702

    Abstract: Homogeneous nucleation from the vapor phase has been a well-defined area of research for ∼120 yr. In this paper, we present an overview of the key experimental and theoretical developments that have made it possible to address some of the fundamental ... ...

    Abstract Homogeneous nucleation from the vapor phase has been a well-defined area of research for ∼120 yr. In this paper, we present an overview of the key experimental and theoretical developments that have made it possible to address some of the fundamental questions first delineated and investigated in C. T. R. Wilson's pioneering paper of 1897 [C. T. R. Wilson, Philos. Trans. R. Soc., A 189, 265-307 (1897)]. We review the principles behind the standard experimental techniques currently used to measure isothermal nucleation rates, and discuss the molecular level information that can be extracted from these measurements. We then highlight recent approaches that interrogate the vapor and intermediate clusters leading to particle formation, more directly.
    Language English
    Publishing date 2016-12-07
    Publishing country United States
    Document type Journal Article
    ZDB-ID 3113-6
    ISSN 1089-7690 ; 0021-9606
    ISSN (online) 1089-7690
    ISSN 0021-9606
    DOI 10.1063/1.4962283
    Database MEDical Literature Analysis and Retrieval System OnLINE

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