# Collapse of Lennard-Jones homopolymers: Size effects and energy landscapes

## Related Articles

- A theory for compressible binary lattice polymers: Influence of chain conformational properties. Suxin Wang; Nies, Erik // Journal of Chemical Physics;10/1/1998, Vol. 109 Issue 13, p5639
Examines the influence of long-range chain connectivity on the thermodynamic properties of athermal compressible single component and binary polymer mixtures. Influence of the excluded volume of the chain molecule; Context of intramolecular self-contacts; Discussion of results for athermal pure...

- The structure of a random heteropolymer in a disordered medium: Ensemble growth simulation. Bratko, D.; Chakraborty, A.K. // Journal of Chemical Physics;1/15/1997, Vol. 106 Issue 3, p1264
Studies the thermodynamics and structural behavior of random heteropolymers immersed in a disordered medium using Monte Carlo simulations. Isolation of heteropolymer chains with renormalized intrachain interactions determined by analytic averaging over the realizations of the external medium;...

- Monte Carlo simulation on thermodynamic properties of a heteropolymer chain. Wang, Yuanyuan; Chen, Hanning; Liang, Haojun // Journal of Chemical Physics;8/22/2001, Vol. 115 Issue 8
The equilibrium thermodynamic properties of a heteropolymer chain of 4 hydrophobic and 26 hydrophilic segments with Lennard-Jones interaction among segments were studied by multicanonical Monte Carlo methods in a three-dimensional off-lattice model. It is approved that the multicanonical...

- Fluctuation phenomena in structurally symmetric polymer blends. Singh, Chandralekha; Schweizer, Kenneth S.; Yethiraj, Arun // Journal of Chemical Physics;2/1/1995, Vol. 102 Issue 5, p2187
Polymer reference interaction site model theory with the new molecular closures is employed to numerically and analytically study structurally and interaction potential symmetric binary blends. Both the compressibility and free energy routes to the thermodynamics are studied and the issue of...

- Kinetic and thermodynamic analysis of proteinlike heteropolymers: Monte Carlo histogram technique. Socci, Nicholas D.; Onuchic, José Nelson // Journal of Chemical Physics;9/15/1995, Vol. 103 Issue 11, p4732
Using Monte Carlo dynamics and the Monte Carlo histogram method, the simple three-dimensional 27 monomer lattice copolymer is examined in depth. The thermodynamic properties of various sequences are examined contrasting the behavior of good and poor folding sequences. The good (fast folding)...

- Morphological variation in a collapsed single homopolymer chain. Noguchi, H.; Yoshikawa, K. // Journal of Chemical Physics;9/22/1998, Vol. 109 Issue 12, p5070
Examines the morphological variation or thermodynamics of single homopolymer chain using Monte Carlo simulation. Breakdown of polymer chain into condensed state; Observation of coil globule transition; Similarity of gas liquid transitions to liquid gas transitions.

- Lattice polymers with structured monomers: A Monte Carlo study of thermodynamic properties of melts and solutions. Buta, Dorel; Freed, Karl F. // Journal of Chemical Physics;6/22/2002, Vol. 116 Issue 24, p10959
The influence of monomer structure on the thermodynamic properties of polymer melts and solutions is explored in Monte Carlo computations. The internal energy, the specific heat, and the chemical potential are determined for united atom lattice models of polyethylene, polypropylene,...

- Equilibrium properties of confined single-chain homopolymers. Maury-Evertsz, Johnny R.; Estévez, L.Antonio; Lópeza, Gustavo E. // Journal of Chemical Physics;11/8/2003, Vol. 119 Issue 18, p9925
The equilibrium thermodynamics of confined linear homopolymers between two impenetrable walls was investigated by means of Monte Carlo simulations in the canonical ensemble with the parallel tempering algorithm. The influence of confinement and chain size on the potential energy, heat capacity,...

- Thermodynamics and Structural Properties of the Model Polyelectrolyte-electrolyte Mixture. Piñero, Jesus; Bhuiyan, Lutful B.; Reščič, Jurij; Vlachy, Vojko // Acta Chimica Slovenica;2008, Vol. 55 Issue 3, p521
Structural and thermodynamic properties of linear polyelectrolyte solutions in presence of a low-molecular electrolyte are studied using Monte Carlo simulation techniques in conjunction with the cylindrical cell model where a uniformly charged hard cylinder mimics the linear polyion situated in...