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Title: Modeling solvent evaporation during thin film formation in phase separating polymer mixtures

Abstract

Preparation of thin films by dissolving polymers in a common solvent followed by evaporation of the solvent has become a routine processing procedure. However, modeling of thin film formation in an evaporating solvent has been challenging due to a need to simulate processes at multiple length and time scales. In this paper, we present a methodology based on the principles of linear non-equilibrium thermodynamics, which allows systematic study of various effects such as the changes in the solvent properties due to phase transformation from liquid to vapor and polymer thermodynamics resulting from such solvent transformations. The methodology allows for the derivation of evaporative flux and boundary conditions near each surface for simulations of systems close to the equilibrium. We apply it to study thin film microstructural evolution in phase segregating polymer blends dissolved in a common volatile solvent and deposited on a planar substrate. Finally, effects of the evaporation rates, interactions of the polymers with the underlying substrate and concentration dependent mobilities on the kinetics of thin film formation are studied.

Authors:
 [1];  [2]; ORCiD logo [3]; ORCiD logo [1]; ORCiD logo [4]
  1. Univ. of Tennessee, Knoxville, TN (United States). Dept. of Mathematics
  2. Univ. of California, Irvine, CA (United States). Dept. of Mathematics
  3. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Computational Sciences and Engineering Division. Center for Nanophase Materials Sciences
  4. Univ. of Tennessee, Knoxville, TN (United States). Dept. of Mathematics; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Computational Sciences and Engineering Division. Center for Nanophase Materials Sciences
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Univ. of Tennessee, Knoxville, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Workforce Development for Teachers and Scientists (WDTS) (SC-27); ORNL Laboratory Directed Research and Development (LDRD) Program; National Science Foundation (NSF); National Inst. of Health (NIH) (United States)
OSTI Identifier:
1423043
Grant/Contract Number:  
AC05-00OR22725; AC05-06OR23100; DMS 1418692; DMS-1719960; P50GM76516
Resource Type:
Accepted Manuscript
Journal Name:
Soft Matter
Additional Journal Information:
Journal Volume: 2018; Journal Issue: 10; Journal ID: ISSN 1744-683X
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Cummings, John, Lowengrub, John S., Sumpter, Bobby G., Wise, Steven M., and Kumar, Rajeev. Modeling solvent evaporation during thin film formation in phase separating polymer mixtures. United States: N. p., 2018. Web. doi:10.1039/c7sm02560b.
Cummings, John, Lowengrub, John S., Sumpter, Bobby G., Wise, Steven M., & Kumar, Rajeev. Modeling solvent evaporation during thin film formation in phase separating polymer mixtures. United States. doi:10.1039/c7sm02560b.
Cummings, John, Lowengrub, John S., Sumpter, Bobby G., Wise, Steven M., and Kumar, Rajeev. Fri . "Modeling solvent evaporation during thin film formation in phase separating polymer mixtures". United States. doi:10.1039/c7sm02560b. https://www.osti.gov/servlets/purl/1423043.
@article{osti_1423043,
title = {Modeling solvent evaporation during thin film formation in phase separating polymer mixtures},
author = {Cummings, John and Lowengrub, John S. and Sumpter, Bobby G. and Wise, Steven M. and Kumar, Rajeev},
abstractNote = {Preparation of thin films by dissolving polymers in a common solvent followed by evaporation of the solvent has become a routine processing procedure. However, modeling of thin film formation in an evaporating solvent has been challenging due to a need to simulate processes at multiple length and time scales. In this paper, we present a methodology based on the principles of linear non-equilibrium thermodynamics, which allows systematic study of various effects such as the changes in the solvent properties due to phase transformation from liquid to vapor and polymer thermodynamics resulting from such solvent transformations. The methodology allows for the derivation of evaporative flux and boundary conditions near each surface for simulations of systems close to the equilibrium. We apply it to study thin film microstructural evolution in phase segregating polymer blends dissolved in a common volatile solvent and deposited on a planar substrate. Finally, effects of the evaporation rates, interactions of the polymers with the underlying substrate and concentration dependent mobilities on the kinetics of thin film formation are studied.},
doi = {10.1039/c7sm02560b},
journal = {Soft Matter},
number = 10,
volume = 2018,
place = {United States},
year = {2018},
month = {2}
}

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