Modeling single-molecule stretching experiments using statistical thermodynamics

Physical review. E, Год журнала: 2023, Номер 108(6)

Опубликована: Дек. 26, 2023

Single-molecule stretching experiments are widely utilized within the fields of physics and chemistry to characterize mechanics individual bonds or molecules, as well chemical reactions. Analytic relations describing these valuable, can be obtained through statistical thermodynamics idealized model systems representing experiments. Since specific thermodynamic ensembles manifested by affect outcome, primarily for small device must included in system. Though stretched molecule might exactly solvable, including often prevents analytic solutions. In limit large stiffness, isometric isotensional provide effective approximations, but effects missing. Here a dual set asymptotically correct theories applied develop accurate approximations full system that includes both device. The asymptotic first demonstrated using freely jointed chain then molecular dynamics calculations single polyethylene chain.

Язык: Английский

Modeling single-molecule stretching experiments using statistical thermodynamics

arXiv (Cornell University), Год журнала: 2023, Номер unknown

Опубликована: Янв. 1, 2023

Single-molecule stretching experiments are widely utilized within the fields of physics and chemistry to characterize mechanics individual bonds or molecules, as well chemical reactions. Analytic relations describing these valuable, can be obtained through statistical thermodynamics idealized model systems representing experiments. Since specific thermodynamic ensembles manifested by affect outcome, primarily for small device must included in system. Though stretched molecule might exactly solvable, including often prevents analytic solutions. In limit large stiffness, isometric isotensional provide effective approximations, but effects missing. Here, a dual set asymptotically correct theories applied develop accurate approximations full system that includes both device. The asymptotic first demonstrated using freely jointed chain model, then molecular dynamics calculations single polyethylene chain.

Язык: Английский