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Modeling nanoparticles in bulk and at surfaces - Lammps - Sandia ...

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Effect of solvent <strong>and</strong> backbone<br />

decane<br />

implicit<br />

C18-COOH<br />

C18-CH 3<br />

Solvent quality is another<br />

important secondary variable<br />

Homogeneous cha<strong>in</strong>s behaved<br />

largely as expected to solvent<br />

changes based on hydrophilic/<br />

phobic <strong>in</strong>teractions<br />

w<strong>at</strong>er<br />

Mixed-cha<strong>in</strong>s deceased uniformity<br />

<strong>in</strong> the co<strong>at</strong><strong>in</strong>g surface as cha<strong>in</strong>s<br />

tended toward small tight bundles<br />

unless solv<strong>at</strong>ed

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