A multiscale method for simulating fluid interfaces covered with large molecules such as asphaltenes

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A multiscale method for simulating fluid interfaces covered with large molecules such as asphaltenes

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作者：&Aring ; smund Ervik^a ; ^{asmunder@pvv.org" class="auth_mail" title="E-mail the corresponding author} ; Morten Olsen Lysgaard^b ; ^{morten@lysgaard.no" class="auth_mail" title="E-mail the corresponding author} ; Carmelo Herdes^d ; ^{c.e.herdes.moreno@bath.ac.uk" class="auth_mail" title="E-mail the corresponding author} ; Guadalupe Jim&eacute ; nez-Serratos^c ; ^{m.jimenez-serratos@imperial.ac.uk" class="auth_mail" title="E-mail the corresponding author} ; Erich A. Mü ; ller^c ; ^{e.muller@imperial.ac.uk" class="auth_mail" title="E-mail the corresponding author} ; Svend Tollak Munkejord^e ; ^{svend.t.munkejord@sintef.no" class="auth_mail" title="E-mail the corresponding author} ; Bernhard Mü ; ller^a ; ^{bernhard.muller@ntnu.no" class="auth_mail" title="E-mail the corresponding author}
关键词：Multiscale method ; Asphaltenes ; Droplet interface ; Immersed-boundary method ; Molecular dynamics ; Anisotropic tension
刊名：Journal of Computational Physics
出版年：2016
出版时间：15 December 2016
年：2016
卷：327
期：Complete
页码：576-611
全文大小：7628 K

文摘

class="label">•: id="pr0010">A multiscale approach for fluid interfaces covered with large molecules is presented.
class="label">•: id="pr0020">At the nanoscale, coarse-grained molecular dynamics simulates the molecular fluids.
class="label">•: id="pr0030">Tension and elasticity of the interface is computed at the nanoscale.
class="label">•: id="pr0040">They are used at the macroscale in a level-set/ghost-fluid/immersed-boundary method.
class="label">•: id="pr0050">Simulation of deflating asphaltene-covered drops match crumpling seen experimentally.

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