Surface photografting of acrylic acid on poly(dimethylsiloxane). Experimental and dissipative particle dynamics studies

David Ramírez-Gutiérrez; Carlos Nieto-Draghi; Nicolas Pannacci; Laura V. Castro; Fernando Álvarez-Ramírez; Benoit Creton

doi:10.1021/la503694h

Surface photografting of acrylic acid on poly(dimethylsiloxane). Experimental and dissipative particle dynamics studies

David Ramírez-Gutiérrez, Carlos Nieto-Draghi, Nicolas Pannacci, Laura V. Castro, Fernando Álvarez-Ramírez, Benoit Creton

Research output: Contribution to journal › Article › peer-review

12 Scopus citations

Abstract

This work includes both experimental and theoretical studies of the wetting property changes of water on a surface of poly(dimethylsiloxane) (PDMS) modified with different amounts of acrylic acid (AA). The default surface properties of PDMS were changed from hydrophobic to hydrophilic behavior which was characterized with contact angle measurements by two approaches: (i) experimental tests of samples subjected to a photografting polymerization procedure to obtain a functionalized surface and (ii) DPD (dissipative particle dynamics) simulations which also involve the calculation of sets of repulsive parameters determined following two methods: the use of the "Blends" module in the Materials Studio software and the calculation of cohesive energy density with molecular simulations. Changes of contact angle values observed from both experimental and numerical simulation results provide qualitative and quantitative information on the wetting behavior of photografted surfaces.

Original language	English
Pages (from-to)	1400-1409
Number of pages	10
Journal	Langmuir
Volume	31
Issue number	4
DOIs	https://doi.org/10.1021/la503694h
State	Published - 3 Feb 2015
Externally published	Yes

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title = "Surface photografting of acrylic acid on poly(dimethylsiloxane). Experimental and dissipative particle dynamics studies",

abstract = "This work includes both experimental and theoretical studies of the wetting property changes of water on a surface of poly(dimethylsiloxane) (PDMS) modified with different amounts of acrylic acid (AA). The default surface properties of PDMS were changed from hydrophobic to hydrophilic behavior which was characterized with contact angle measurements by two approaches: (i) experimental tests of samples subjected to a photografting polymerization procedure to obtain a functionalized surface and (ii) DPD (dissipative particle dynamics) simulations which also involve the calculation of sets of repulsive parameters determined following two methods: the use of the {"}Blends{"} module in the Materials Studio software and the calculation of cohesive energy density with molecular simulations. Changes of contact angle values observed from both experimental and numerical simulation results provide qualitative and quantitative information on the wetting behavior of photografted surfaces.",

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T1 - Surface photografting of acrylic acid on poly(dimethylsiloxane). Experimental and dissipative particle dynamics studies

AU - Ramírez-Gutiérrez, David

AU - Nieto-Draghi, Carlos

AU - Pannacci, Nicolas

AU - Castro, Laura V.

AU - Álvarez-Ramírez, Fernando

AU - Creton, Benoit

PY - 2015/2/3

Y1 - 2015/2/3

N2 - This work includes both experimental and theoretical studies of the wetting property changes of water on a surface of poly(dimethylsiloxane) (PDMS) modified with different amounts of acrylic acid (AA). The default surface properties of PDMS were changed from hydrophobic to hydrophilic behavior which was characterized with contact angle measurements by two approaches: (i) experimental tests of samples subjected to a photografting polymerization procedure to obtain a functionalized surface and (ii) DPD (dissipative particle dynamics) simulations which also involve the calculation of sets of repulsive parameters determined following two methods: the use of the "Blends" module in the Materials Studio software and the calculation of cohesive energy density with molecular simulations. Changes of contact angle values observed from both experimental and numerical simulation results provide qualitative and quantitative information on the wetting behavior of photografted surfaces.

AB - This work includes both experimental and theoretical studies of the wetting property changes of water on a surface of poly(dimethylsiloxane) (PDMS) modified with different amounts of acrylic acid (AA). The default surface properties of PDMS were changed from hydrophobic to hydrophilic behavior which was characterized with contact angle measurements by two approaches: (i) experimental tests of samples subjected to a photografting polymerization procedure to obtain a functionalized surface and (ii) DPD (dissipative particle dynamics) simulations which also involve the calculation of sets of repulsive parameters determined following two methods: the use of the "Blends" module in the Materials Studio software and the calculation of cohesive energy density with molecular simulations. Changes of contact angle values observed from both experimental and numerical simulation results provide qualitative and quantitative information on the wetting behavior of photografted surfaces.

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Surface photografting of acrylic acid on poly(dimethylsiloxane). Experimental and dissipative particle dynamics studies

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