2018
DOI: 10.1002/mats.201800052
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Networked Nanogels from Self‐Assembly of End‐Functionalized Polymers at the Vapor/Liquid Interface: Molecular Dynamics Simulations

Abstract: Polymers confined at a vapor/liquid interface are particularly interesting and important as the immiscibility degree of polymers in the vapor phase is typically much less than in the liquid phase. With the help of molecular dynamics simulations, the self‐assembled monolayers of end‐functionalized polymers at the vapor/liquid interface are analyzed as a function of surface coverage, end‐attraction strength, and simulation temperature. Typical self‐assembled structures of end‐functionalized polymers such as rod‐… Show more

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Cited by 1 publication
(2 citation statements)
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“…The identical interaction applies as well for the interaction between a solvent particle and a subparticle in the nanoparticle. For the interaction between a crossed pair of monomer and subparticle, the similar short-ranged 12–6 LJ potential is adopted while the cutoff distance and the interaction energy parameter ε ij ′ ranging from 0.65ε 0 to 1.0ε 0 are adopted for assessing different adsorption strengths. , …”
Section: Coarse-grained Model and Simulation Methodsmentioning
confidence: 99%
See 1 more Smart Citation
“…The identical interaction applies as well for the interaction between a solvent particle and a subparticle in the nanoparticle. For the interaction between a crossed pair of monomer and subparticle, the similar short-ranged 12–6 LJ potential is adopted while the cutoff distance and the interaction energy parameter ε ij ′ ranging from 0.65ε 0 to 1.0ε 0 are adopted for assessing different adsorption strengths. , …”
Section: Coarse-grained Model and Simulation Methodsmentioning
confidence: 99%
“…and the interaction energy parameter ε ij ′ ranging from 0.65ε 0 to 1.0ε 0 are adopted for assessing different adsorption strengths. 35,36 Finally, the monomer−solvent interaction contains two contributions, namely the same short-ranged 12−6 LJ as in eq 3 plus the Morse potential with two different involved parameters ΔA pw = 12.4 and α pw = −26.8. The interaction parameters for the model system are all summarized in Table S2.…”
Section: Coarse-grained Model and Simulationmentioning
confidence: 99%