Random copolymer adsorption: Morita approximation compared to exact numerical simulations

We study the adsorption of ideal random lattice copolymers with correlations in the sequences on homogeneous substrates with two different methods: An analytical solution of the problem based on the constrained annealed approximation introduced by Morita in 1964 and the generating functional (GF) te...

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Published inarXiv.org
Main Authors Polotsky, Alexey, Degenhard, Andreas, Schmid, Friederike
Format Paper Journal Article
LanguageEnglish
Published Ithaca Cornell University Library, arXiv.org 23.11.2009
Subjects
Adsorption
Approximation
Chains
Computer simulation
Copolymers
Exact solutions
Free energy
Mathematical analysis
Molecular conformation
Physics - Soft Condensed Matter
Physics - Statistical Mechanics
Simulation
Substrates
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Abstract We study the adsorption of ideal random lattice copolymers with correlations in the sequences on homogeneous substrates with two different methods: An analytical solution of the problem based on the constrained annealed approximation introduced by Morita in 1964 and the generating functional (GF) technique, and direct numerical simulations of lattice chains averaged over many realizations of random sequences. Both methods allow to calculate the free energy and different conformational characteristics of the adsorbed chain. The comparison of the results for random copolymers with different degree of correlations and different types of nonadsorbing monomers (neutral or repelling from the surface) shows not only qualitative but a very good quantitative agreement, especially in the cases of Bernoullian and quasi-alternating random sequences.
AbstractList We study the adsorption of ideal random lattice copolymers with correlations in the sequences on homogeneous substrates with two different methods: An analytical solution of the problem based on the constrained annealed approximation introduced by Morita in 1964 and the generating functional (GF) technique, and direct numerical simulations of lattice chains averaged over many realizations of random sequences. Both methods allow to calculate the free energy and different conformational characteristics of the adsorbed chain. The comparison of the results for random copolymers with different degree of correlations and different types of nonadsorbing monomers (neutral or repelling from the surface) shows not only qualitative but a very good quantitative agreement, especially in the cases of Bernoullian and quasi-alternating random sequences.
J. Chem. Phys. 131, 054903 (2009) We study the adsorption of ideal random lattice copolymers with correlations in the sequences on homogeneous substrates with two different methods: An analytical solution of the problem based on the constrained annealed approximation introduced by Morita in 1964 and the generating functional (GF) technique, and direct numerical simulations of lattice chains averaged over many realizations of random sequences. Both methods allow to calculate the free energy and different conformational characteristics of the adsorbed chain. The comparison of the results for random copolymers with different degree of correlations and different types of nonadsorbing monomers (neutral or repelling from the surface) shows not only qualitative but a very good quantitative agreement, especially in the cases of Bernoullian and quasi-alternating random sequences.
Author Polotsky, Alexey
Schmid, Friederike
Degenhard, Andreas
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BackLink https://doi.org/10.1063/1.3193723$$DView published paper (Access to full text may be restricted)
https://doi.org/10.48550/arXiv.0907.3773$$DView paper in arXiv
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Snippet We study the adsorption of ideal random lattice copolymers with correlations in the sequences on homogeneous substrates with two different methods: An...
J. Chem. Phys. 131, 054903 (2009) We study the adsorption of ideal random lattice copolymers with correlations in the sequences on homogeneous substrates with...
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SubjectTerms Adsorption
Approximation
Chains
Computer simulation
Copolymers
Exact solutions
Free energy
Mathematical analysis
Molecular conformation
Physics - Soft Condensed Matter
Physics - Statistical Mechanics
Simulation
Substrates
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