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Simulation of Osmotic Swelling by the Stochastic Immersed Boundary Method

Journal Article · · SIAM Journal on Scientific Computing
DOI:https://doi.org/10.1137/14098404X· OSTI ID:1633900
 [1];  [2];  [3];  [2]
  1. New York Univ. (NYU), NY (United States); US Department of Energy
  2. New York Univ. (NYU), NY (United States)
  3. Univ. of California, Santa Barbara, CA (United States)
+ Show Author Affiliations
We develop here computational methods for the simulation of osmotic swelling phenomena relevant to microscopic vesicles containing transformable solute molecules. We introduce stochastic immersed boundary methods (SIBMs) that can capture osmotically driven fluid transport through semipermeable elastic membranes subject to thermal fluctuations. We further develop numerical methods to handle within SIBMs an elastic shell model for a neo-Hookean material. Our extended SIBM allows for capturing osmotic swelling phenomena driven by concentration changes and interactions between a discrete collection of confined particles while accounting for the thermal fluctuations of the semipermeable membrane and the hydrodynamic transport of solvent. We use our computational methods to investigate osmotic phenomena in regimes that go beyond the classical Van't Hoff theory. We develop statistical mechanics theories for osmotic swelling of vesicles when there are significant interactions between particles that can transform over time. We validate our theoretical results against detailed computational simulations. Our methods are expected to be useful for a wide class of applications allowing for the simulation of osmotically driven flows, thermally fluctuating semipermeable elastic structures, and solute interactions.
Research Organization:
Krell Institute, Ames, IA (United States); Univ. of California, Santa Barbara, CA (United States)
Sponsoring Organization:
National Institutes of Health (NIH); National Science Foundation (NSF); USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR) (SC-21)
Grant/Contract Number:
FG02-97ER25308; SC0009254
OSTI ID:
1633900
Journal Information:
SIAM Journal on Scientific Computing, Journal Name: SIAM Journal on Scientific Computing Journal Issue: 4 Vol. 37; ISSN 1064-8275
Publisher:
SIAMCopyright Statement
Country of Publication:
United States
Language:
English

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Cited By (3)

Hydrodynamics of transient cell-cell contact: The role of membrane permeability and active protrusion length journal July 2018
Image-based model of the spectrin cytoskeleton for red blood cell simulation journal October 2017
Hydrodynamics of transient cell-cell contact: The role of membrane permeability and active protrusion length journal April 2019

Figures / Tables (13)

Fig. 3.1(p. 11)figure Fig. 3.1
Fig. 4.1(p. 19)figure Fig. 4.1
Fig. 4.2(p. 21)figure Fig. 4.2
Fig. 4.3(p. 22)figure Fig. 4.3
Fig. 4.4(p. 23)figure Fig. 4.4
Fig. 4.5(p. 24)figure Fig. 4.5
Table 4.1(p. 25)table Table 4.1
Table 4.2(p. 25)table Table 4.2
Fig. 4.6(p. 26)figure Fig. 4.6
Fig. 4.7(p. 27)figure Fig. 4.7
Fig. A.1(p. 34)figure Fig. A.1
Algorithm 1(p. 37)figure Algorithm 1
Fig. A.2(p. 38)figure Fig. A.2

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Related Subjects

97 MATHEMATICS AND COMPUTING
osmotic swelling
statistical mechanics
fluid dynamics
the stochastic immersed boundary method
thermal fluctuations
fluctuating hydrodynamics