Langmuir adsorption model to assess the impact of silane coupling on nano-dispersion of silica in SBR

Okoli, Ugochukwu; Rishi, Kabir; Manrique, Vanessa; Grammens, James; Pallerla, Lahari; Wang, Jianqi; Beaucage, Gregory; Chauby, Michael; McGlasson, Alex; Narayanan, Vishak; Wang, Yangyang; Ilavsky, Jan

doi:10.1016/j.polymer.2024.127659

Langmuir adsorption model to assess the impact of silane coupling on nano-dispersion of silica in SBR

Journal Article · Wed Sep 25 00:00:00 EDT 2024 · Polymer

DOI:https://doi.org/10.1016/j.polymer.2024.127659· OSTI ID:2475994

Okoli, Ugochukwu ^[1]; ^[1]; Manrique, Vanessa ^[1]; Grammens, James ^[1]; Pallerla, Lahari ^[1]; ^[1]; ^[1]; Chauby, Michael ^[2]; McGlasson, Alex ^[3]; Narayanan, Vishak ^[4]; ^[5]; Ilavsky, Jan ^[6]

Univ. of Cincinnati, OH (United States)
Rowan Univ., Glassboro, NJ (United States)
Univ. of Massachusetts, Amherst, MA (United States)
L&T Technology Services, Bangalore, KA (India)
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)
Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)

Surface active agents are often used to improve dispersion of nanoparticles. Quantitative correlation between these surface-active molecules and nanoscale dispersion is absent from the literature partly because a quantitative measure of nanoscale dispersion does not exist. Recently, we have developed the Virial-van der Waals method to quantify dispersion in nanocomposites using virial coefficients. In this paper, the Langmuir adsorption model is used to quantify the influence of surface-active agents on nano-scale dispersion in terms of the effective second virial coefficient B₂*. The impact of silane coupling agent on the nano-dispersion and silica aggregate structure in precipitated silica/SBR nanocomposites is demonstrated. It is shown that the higher viscosity SBR matrix led to a greater silica aggregate structural breakup, while lower viscosity matrix improved surface silanization. The isomeric content of the SBR, which impacts the dielectric behavior, impacted whether the system could be modeled through a mean-field or specific interactions. We earlier showed that larger aggregates improve dispersion, and this is reaffirmed in these results. After account is made for aggregate size, nano-scale dispersion improves with the addition of silane coupling agent. The behavior is well modeled using Langmuir monolayer adsorption.

View Accepted Manuscript (DOE)

Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States); Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: National Science Foundation (NSF); USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)

Grant/Contract Number:: AC02-06CH11357; AC05-00OR22725

OSTI ID:: 2475994

Alternate ID(s):: OSTI ID: 2586856

Journal Information:: Polymer, Journal Name: Polymer Vol. 312; ISSN 0032-3861

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
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Langmuir adsorption model to assess the impact of silane coupling on nano-dispersion of silica in SBR

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