2002/02/18 by C. Ortiz-Estrada, G. Luna-Barcenas, Ortiz-Estrada, C. +8
Biochemistry, Genetics and Molecular Biology · Engineering · Materials Science · Physics and Astronomy · #FOS: Physical sciences #Material Dynamics and Properties #Phase Equilibria and Thermodynamics #Protein Structure and Dynamics #Soft Condensed Matter (cond-mat.soft) #Statistical Mechanics (cond-mat.stat-mech) #cond-mat.soft #cond-mat.stat-mech
paper · pdf · doi:10.48550/arxiv.cond-mat/0202302
Proceedings of the First Mexican Meeting on Mathematical and Experimental Physics. Conference held at El Colegio Nacional, MEXICO (Sept. 2001). The paper consists of 9 LateX pages with 5 EPS figures. Proceedings in the format of Kluwer Academic Publishers
arxiv created 2002/02/18 · openalex publication_date 2002/02/18 · arxiv updated 2009/11/30 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
My means of extensive Monte Carlo simulations the mean radius of gyration and the end-to-end distance are calculated for a single chain in a solvent over a broad range of volume fractions, pressures and temperatures. Our results indicate that in general, the chain collapses as temperature increases at constant pressure, or as density decreases at constant temperature. A minimum in the radius of gyration and the end-to-end distance occurs near the Lower Critical Solution Temperature (LCST) and slightly above the coil-to-globule transition temperature, where the chain adopts a quasi-ideal conformation, defined by the balance of binary attractive and repulsive interactions. At temperatures well above the LCST, the chain expands again suggesting an Upper Critical Solution Temperature (UCST) phase boundary above the LCST, forming a closed immiscibility loop. However, this observation strongly depends on the solvent-to-monomer size ratio.