Form Factors for Russian Doll Droplet Models

Gerald Wilemski; Abdalla A. Obeidat; Fawaz Hrahsheh

doi:10.1063/1.4803224

Form Factors for Russian Doll Droplet Models

Gerald Wilemski
, Abdalla A. Obeidat
, Fawaz Hrahsheh

Physics

Research output: Contribution to journal › Article › peer-review

Abstract

Molecular dynamics (MD) simulations of nanodroplets containing water and nonane show them to be nonspherical and strongly phase separated. A simple, but realistic model for these "Russian doll" structures is a spherical nonane lens that partially wets a spherical water droplet. This document contains an analytical calculation of the particle form factor P(q) needed to analyze experimental measurements of small angle neutron and x-ray scattering from aerosols of particles with this type of structure. In addition, an exact formulation of the particle form factor is developed for cylindrically symmetric droplets with otherwise arbitrary scattering length density functions. This result will be useful to calculate P(q) directly from MD simulation results. We compare results using both formulations and find excellent agreement between them.

Original language	American English
Journal	AIP Conference Proceedings
Volume	1527
DOIs	https://doi.org/10.1063/1.4803224
State	Published - Jun 1 2013

Keywords

Contact angle
Form Factors
Molecular dynamics
Nanodroplets
X-ray scattering

Disciplines

Physics

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https://doi.org/10.1063/1.4803224

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title = "Form Factors for Russian Doll Droplet Models",

abstract = " Molecular dynamics (MD) simulations of nanodroplets containing water and nonane show them to be nonspherical and strongly phase separated. A simple, but realistic model for these {"}Russian doll{"} structures is a spherical nonane lens that partially wets a spherical water droplet. This document contains an analytical calculation of the particle form factor P(q) needed to analyze experimental measurements of small angle neutron and x-ray scattering from aerosols of particles with this type of structure. In addition, an exact formulation of the particle form factor is developed for cylindrically symmetric droplets with otherwise arbitrary scattering length density functions. This result will be useful to calculate P(q) directly from MD simulation results. We compare results using both formulations and find excellent agreement between them.",

keywords = "Contact angle, Form Factors, Molecular dynamics, Nanodroplets, X-ray scattering",

author = "Gerald Wilemski and Obeidat, \{Abdalla A.\} and Fawaz Hrahsheh",

year = "2013",

month = jun,

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doi = "10.1063/1.4803224",

language = "American English",

volume = "1527",

journal = "AIP Conference Proceedings",

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TY - JOUR

T1 - Form Factors for Russian Doll Droplet Models

AU - Wilemski, Gerald

AU - Obeidat, Abdalla A.

AU - Hrahsheh, Fawaz

PY - 2013/6/1

Y1 - 2013/6/1

N2 - Molecular dynamics (MD) simulations of nanodroplets containing water and nonane show them to be nonspherical and strongly phase separated. A simple, but realistic model for these "Russian doll" structures is a spherical nonane lens that partially wets a spherical water droplet. This document contains an analytical calculation of the particle form factor P(q) needed to analyze experimental measurements of small angle neutron and x-ray scattering from aerosols of particles with this type of structure. In addition, an exact formulation of the particle form factor is developed for cylindrically symmetric droplets with otherwise arbitrary scattering length density functions. This result will be useful to calculate P(q) directly from MD simulation results. We compare results using both formulations and find excellent agreement between them.

AB - Molecular dynamics (MD) simulations of nanodroplets containing water and nonane show them to be nonspherical and strongly phase separated. A simple, but realistic model for these "Russian doll" structures is a spherical nonane lens that partially wets a spherical water droplet. This document contains an analytical calculation of the particle form factor P(q) needed to analyze experimental measurements of small angle neutron and x-ray scattering from aerosols of particles with this type of structure. In addition, an exact formulation of the particle form factor is developed for cylindrically symmetric droplets with otherwise arbitrary scattering length density functions. This result will be useful to calculate P(q) directly from MD simulation results. We compare results using both formulations and find excellent agreement between them.

KW - Contact angle

KW - Form Factors

KW - Molecular dynamics

KW - Nanodroplets

KW - X-ray scattering

UR - https://scholarsmine.mst.edu/phys_facwork/1213

UR - https://doi.org/10.1063/1.4803224

U2 - 10.1063/1.4803224

DO - 10.1063/1.4803224

M3 - Article

SN - 1551-7616

VL - 1527

JO - AIP Conference Proceedings

JF - AIP Conference Proceedings

ER -

Form Factors for Russian Doll Droplet Models

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