Simulation of imprinted emulsion prepolymerization mixtures

• The aim of this study was to develop protocols for and evaluate the use of all-atom full system molecular dynamic (MD) simulations of emulsion systems in the development of molecularly imprinted polymers (MIPs). Here, we report on the first, to the best of our knowledge, use of all-component MD studies to simulate and evaluate MIP miniemulsion prepolymerization mixtures; in this case, the mixtures used in the synthesis of a series of MIP-nanoparticles (MIP-NPs).

Subject headings

NATURVETENSKAP  -- Kemi -- Organisk kemi (hsv//swe)

NATURAL SCIENCES  -- Chemical Sciences -- Organic Chemistry (hsv//eng)

TEKNIK OCH TEKNOLOGIER  -- Kemiteknik -- Polymerteknologi (hsv//swe)

ENGINEERING AND TECHNOLOGY  -- Chemical Engineering -- Polymer Technologies (hsv//eng)

NATURVETENSKAP  -- Kemi -- Polymerkemi (hsv//swe)

NATURAL SCIENCES  -- Chemical Sciences -- Polymer Chemistry (hsv//eng)

Keyword

Organic Chemistry

Organisk kemi

Publication and Content Type

ref (subject category)

art (subject category)