Control of Stratification in Drying Particle Suspensions via Temperature Gradients

Tang, Yanfei; Grest, Gary S.; Cheng, Shengfeng

doi:10.1021/acs.langmuir.8b03659

Title: Control of Stratification in Drying Particle Suspensions via Temperature Gradients

Abstract

A potential strategy for controlling stratification in a drying suspension of bidisperse particles is studied using molecular dynamics simulations. When the suspension is maintained at a constant temperature during fast drying, it can exhibit “small-on-top” stratification with an accumulation (depletion) of smaller (larger) particles in the top region of the drying film, consistent with the prediction of current theories based on diffusiophoresis. However, when only the region near the substrate is thermalized at a constant temperature, a negative temperature gradient develops in the suspension because of evaporative cooling at the liquid–vapor interface. Since the associated thermophoresis is stronger for larger nanoparticles, a higher fraction of larger nanoparticles migrate to the top of the drying film at fast evaporation rates. As a result, stratification is converted to “large-on-top”. Very strong small-on-top stratification can be produced with a positive thermal gradient in the drying suspension. Here, we explore a way to produce a positive thermal gradient by thermalizing the vapor at a temperature higher than that of the solvent. Possible experimental approaches to realize various thermal gradients in a suspension undergoing solvent evaporation and thus to produce different stratification states in the drying film are suggested.

Authors:

Tang, Yanfei ^[1];

^[2];

^[1]

Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States). Dept. of Physics, Center for Soft Matter and Biological Physics, and Macromolecules Innovation Inst.
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

Publication Date:: Tue Feb 26 00:00:00 EST 2019

Research Org.:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)

Sponsoring Org.:: USDOE Office of Science (SC)

OSTI Identifier:: 1529979

Grant/Contract Number:: AC02-05CH11231; NA0003525

Resource Type:: Accepted Manuscript

Journal Name:: Langmuir

Additional Journal Information:: Journal Volume: 35; Journal Issue: 12; Journal ID: ISSN 0743-7463

Publisher:: American Chemical Society

Country of Publication:: United States

Language:: English

Subject:: 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats


                    Tang, Yanfei, Grest, Gary S., and Cheng, Shengfeng. Control of Stratification in Drying Particle Suspensions via Temperature Gradients.  United States: N. p., 2019. 
Web.  doi:10.1021/acs.langmuir.8b03659.

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                    Tang, Yanfei, Grest, Gary S., & Cheng, Shengfeng. Control of Stratification in Drying Particle Suspensions via Temperature Gradients.  United States.  https://doi.org/10.1021/acs.langmuir.8b03659

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                    Tang, Yanfei, Grest, Gary S., and Cheng, Shengfeng. Tue .  
"Control of Stratification in Drying Particle Suspensions via Temperature Gradients".  United States.  https://doi.org/10.1021/acs.langmuir.8b03659.  https://www.osti.gov/servlets/purl/1529979.

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@article{osti_1529979,

  title        = {Control of Stratification in Drying Particle Suspensions via Temperature Gradients},

  author       = {Tang, Yanfei and Grest, Gary S. and Cheng, Shengfeng},

  abstractNote = {A potential strategy for controlling stratification in a drying suspension of bidisperse particles is studied using molecular dynamics simulations. When the suspension is maintained at a constant temperature during fast drying, it can exhibit “small-on-top” stratification with an accumulation (depletion) of smaller (larger) particles in the top region of the drying film, consistent with the prediction of current theories based on diffusiophoresis. However, when only the region near the substrate is thermalized at a constant temperature, a negative temperature gradient develops in the suspension because of evaporative cooling at the liquid–vapor interface. Since the associated thermophoresis is stronger for larger nanoparticles, a higher fraction of larger nanoparticles migrate to the top of the drying film at fast evaporation rates. As a result, stratification is converted to “large-on-top”. Very strong small-on-top stratification can be produced with a positive thermal gradient in the drying suspension. Here, we explore a way to produce a positive thermal gradient by thermalizing the vapor at a temperature higher than that of the solvent. Possible experimental approaches to realize various thermal gradients in a suspension undergoing solvent evaporation and thus to produce different stratification states in the drying film are suggested.},

  doi          = {10.1021/acs.langmuir.8b03659},

  journal      = {Langmuir},

  number       = 12,

  volume       = 35,

  place        = {United States},

  year         = {Tue Feb 26 00:00:00 EST 2019},

  month        = {Tue Feb 26 00:00:00 EST 2019}

}

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Works referencing / citing this record:

Stratification of drying particle suspensions: Comparison of implicit and explicit solvent simulations
journal, June 2019

Grest, Gary S.
The Journal of Chemical Physics, Vol. 150, Issue 22
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Stratification of drying particle suspensions: Comparison of implicit and explicit solvent simulations
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Tang, Yanfei; Grest, Gary S.; Cheng, Shengfeng
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Title: Control of Stratification in Drying Particle Suspensions via Temperature Gradients

Abstract

Citation Formats

Formation of films by drying of latex journal, November 1965

Film formation of latex journal, December 1997

An overview of polymer latex film formation and properties journal, July 2000

Mechanics of drying colloidal dispersions: Fluid/solid transitions, skinning, crystallization, cracking, and peeling journal, May 2011

Drying of thin colloidal films journal, March 2013

Structure Formation in Soft-Matter Solutions Induced by Solvent Evaporation journal, October 2017

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Predicting drying in coatings that react and gel: Drying regime maps journal, January 1996

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Drying regime maps for particulate coatings journal, January 2010

Self-Stratification During Film Formation from Latex Blends Driven by Differences in Collective Diffusivity journal, August 2010

Auto-stratification in drying colloidal dispersions: A diffusive model journal, July 2012

Autostratification in Drying Colloidal Dispersions: Experimental Investigations journal, February 2012

Autostratification in Drying Colloidal Dispersions: Effect of Particle Interactions journal, January 2012

Molecular dynamics simulations of evaporation-induced nanoparticle assembly journal, February 2013

Modeling Flow Coating of Colloidal Dispersions in the Evaporative Regime: Prediction of Deposit Thickness journal, December 2016

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pH-Switchable Stratification of Colloidal Coatings: Surfaces “On Demand” journal, December 2016

Cross Interaction Drives Stratification in Drying Film of Binary Colloidal Mixtures journal, March 2017

Stratification and Size Segregation of Ternary and Polydisperse Colloidal Suspensions during Drying journal, May 2017

Stratification Dynamics in Drying Colloidal Mixtures journal, April 2017

Stratification in Drying Polymer–Polymer and Colloid–Polymer Mixtures journal, August 2017

Stratification in binary colloidal polymer films: experiment and simulations journal, January 2017

Diffusiophoresis in nonadsorbing polymer solutions: The Asakura-Oosawa model and stratification in drying films journal, December 2017

Stratification of mixtures in evaporating liquid films occurs only for a range of volume fractions of the smaller component journal, April 2018

Stratification during evaporative assembly of multicomponent nanoparticle films journal, April 2018

Effects of the evaporation rate on the segregation in drying bimodal colloidal suspensions journal, January 2018

Particulate Coatings via Evaporation-Induced Self-Assembly of Polydisperse Colloidal Lignin on Solid Interfaces journal, May 2018

Stratification in Drying Films Containing Bidisperse Mixtures of Nanoparticles journal, May 2018

Evidence of Stratification in Binary Colloidal Films from Microbeam X-ray Scattering: Toward Optimizing the Evaporative Assembly Processes for Coatings journal, July 2018

Influence of hydrodynamic interactions on stratification in drying mixtures journal, July 2018

Design of Waterborne Nanoceria/Polymer Nanocomposite UV-Absorbing Coatings: Pickering versus Blended Particles journal, July 2018

Horizontal drying fronts during solvent evaporation from latex films journal, September 1998

Interaction potentials for soft and hard ellipsoids journal, April 2003

Accurate and efficient methods for modeling colloidal mixtures in an explicit solvent using molecular dynamics journal, September 2008

Structure and diffusion of nanoparticle monolayers floating at liquid/vapor interfaces: A molecular dynamics study journal, June 2012

Shear thinning of nanoparticle suspensions journal, February 2009

Fast Parallel Algorithms for Short-Range Molecular Dynamics journal, March 1995

Thermophoresis in colloidal suspensions journal, March 2008

Phoresis in fluids journal, December 2011

Evaporation of Lennard-Jones fluids journal, June 2011

Structural changes in the surface of water journal, September 1987

Surface temperature of a liquid-vapor interface journal, December 1989

Optimization of single-zone drying of polymer solution coatings using mathematical modeling journal, January 2000

Dry-casting: Computer simulation, sensitivity analysis, experimental and phenomenological model studies journal, May 2010

Molecular dynamics algorithms and hydrodynamic screening journal, November 1993

Molecular dynamics simulation of solvent–polymer interdiffusion: Fickian diffusion journal, February 2004

Stratification in Drying Polymer–Polymer and Colloid–Polymer Mixtures journal, August 2017

Stratification of drying particle suspensions: Comparison of implicit and explicit solvent simulations journal, June 2019

Stratification of drying particle suspensions: Comparison of implicit and explicit solvent simulations text, January 2018

Formation of films by drying of latex
journal, November 1965

Film formation of latex
journal, December 1997

An overview of polymer latex film formation and properties
journal, July 2000

Mechanics of drying colloidal dispersions: Fluid/solid transitions, skinning, crystallization, cracking, and peeling
journal, May 2011

Drying of thin colloidal films
journal, March 2013

Structure Formation in Soft-Matter Solutions Induced by Solvent Evaporation
journal, October 2017

A critical and quantitative review of the stratification of particles during the drying of colloidal films
journal, January 2018

Predicting drying in coatings that react and gel: Drying regime maps
journal, January 1996

Distribution of particles during solvent evaporation from films
journal, July 2004

Drying regime maps for particulate coatings
journal, January 2010

Self-Stratification During Film Formation from Latex Blends Driven by Differences in Collective Diffusivity
journal, August 2010

Auto-stratification in drying colloidal dispersions: A diffusive model
journal, July 2012

Autostratification in Drying Colloidal Dispersions: Experimental Investigations
journal, February 2012

Autostratification in Drying Colloidal Dispersions: Effect of Particle Interactions
journal, January 2012

Molecular dynamics simulations of evaporation-induced nanoparticle assembly
journal, February 2013

Modeling Flow Coating of Colloidal Dispersions in the Evaporative Regime: Prediction of Deposit Thickness
journal, December 2016

Evaporation-induced assembly of colloidal crystals
journal, September 2018

Dynamic Stratification in Drying Films of Colloidal Mixtures
journal, March 2016

pH-Switchable Stratification of Colloidal Coatings: Surfaces “On Demand”
journal, December 2016

Cross Interaction Drives Stratification in Drying Film of Binary Colloidal Mixtures
journal, March 2017

Stratification and Size Segregation of Ternary and Polydisperse Colloidal Suspensions during Drying
journal, May 2017

Stratification Dynamics in Drying Colloidal Mixtures
journal, April 2017

Stratification in Drying Polymer–Polymer and Colloid–Polymer Mixtures
journal, August 2017

Stratification in binary colloidal polymer films: experiment and simulations
journal, January 2017

Diffusiophoresis in nonadsorbing polymer solutions: The Asakura-Oosawa model and stratification in drying films
journal, December 2017

Stratification of mixtures in evaporating liquid films occurs only for a range of volume fractions of the smaller component
journal, April 2018

Stratification during evaporative assembly of multicomponent nanoparticle films
journal, April 2018

Effects of the evaporation rate on the segregation in drying bimodal colloidal suspensions
journal, January 2018

Particulate Coatings via Evaporation-Induced Self-Assembly of Polydisperse Colloidal Lignin on Solid Interfaces
journal, May 2018

Stratification in Drying Films Containing Bidisperse Mixtures of Nanoparticles
journal, May 2018

Evidence of Stratification in Binary Colloidal Films from Microbeam X-ray Scattering: Toward Optimizing the Evaporative Assembly Processes for Coatings
journal, July 2018

Influence of hydrodynamic interactions on stratification in drying mixtures
journal, July 2018

Design of Waterborne Nanoceria/Polymer Nanocomposite UV-Absorbing Coatings: Pickering versus Blended Particles
journal, July 2018

Horizontal drying fronts during solvent evaporation from latex films
journal, September 1998

Interaction potentials for soft and hard ellipsoids
journal, April 2003

Accurate and efficient methods for modeling colloidal mixtures in an explicit solvent using molecular dynamics
journal, September 2008

Structure and diffusion of nanoparticle monolayers floating at liquid/vapor interfaces: A molecular dynamics study
journal, June 2012

Shear thinning of nanoparticle suspensions
journal, February 2009

Fast Parallel Algorithms for Short-Range Molecular Dynamics
journal, March 1995

Thermophoresis in colloidal suspensions
journal, March 2008

Phoresis in fluids
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