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Polymers with spatial or topological constraints: Theoretical and computational results
In this review, we provide an organized summary of the theoretical and computational
results that are available for polymers subject to spatial or topological constraints. Because …
results that are available for polymers subject to spatial or topological constraints. Because …
PRISM theory of the structure, thermodynamics, and phase transitions of polymer liquids and alloys
The recent development of a microscopic theory of the equilibrium properties of polymer
solutions, melts and alloys based on off-lattice Polymer Reference Interaction Site Model …
solutions, melts and alloys based on off-lattice Polymer Reference Interaction Site Model …
New reference equation of state for associating liquids
An equation of state for associating liquids is presented as a sum of three Helmholtz energy
terms: Lennard-Lones (LJ) segment (temperature-dependent hard sphere+ dispersion) …
terms: Lennard-Lones (LJ) segment (temperature-dependent hard sphere+ dispersion) …
SAFT: Equation-of-state solution model for associating fluids
An equation-of-state model has been developed for predicting phase equilibria, based on
the Statistical Associating Fluid Theory (SAFT). The agreement with molecular simulation …
the Statistical Associating Fluid Theory (SAFT). The agreement with molecular simulation …
Phase equilibria of associating fluids: chain molecules with multiple bonding sites
As a continuation of our work on spherical associating molecules, we have derived
expressions for changes in the thermodynamic properties due to association in mixtures of …
expressions for changes in the thermodynamic properties due to association in mixtures of …
Integral equation theories of the structure, thermodynamics, and phase transitions of polymer fluids
Condensed polymeric fluids exhibit a rich and complex set of experimental phenomena
associated with the combined influences of local, systemspecific monomer structure and …
associated with the combined influences of local, systemspecific monomer structure and …
Molecular dynamics simulations of the structure and dynamics of confined polymer melts
I Bitsanis, G Hadziioannou - The Journal of chemical physics, 1990 - pubs.aip.org
We performed a series of molecular dynamics simulations investigating the static and
dynamic properties of polymer melts confined between planar solid surfaces. The solid–melt …
dynamic properties of polymer melts confined between planar solid surfaces. The solid–melt …
Percus-Yevick integral-equation theory for athermal hard-sphere chains: Part I: Equations of state
YC Chiew - Molecular Physics, 1990 - Taylor & Francis
A theoretical method for the modelling of athermal freely jointed tangent hard-sphere chain
fluids, of fixed length r, is developed based on a 'particle-particle'description of the chain …
fluids, of fixed length r, is developed based on a 'particle-particle'description of the chain …
Equation of state for Lennard-Jones chains
An equation of state for chains composed of tangent, freely jointed Lennard-Jones spheres
is presented. The equation is based on a statistical mechanical description of polymerization …
is presented. The equation is based on a statistical mechanical description of polymerization …
Application of Wertheim's thermodynamic perturbation theory to dipolar hard sphere chains
PK Jog, WG Chapman - Molecular Physics, 1999 - Taylor & Francis
We present results from molecular simulation and statistical mechanics based theory for
dipolar hard sphere chains. We consider tangent hard sphere chains with dipoles on …
dipolar hard sphere chains. We consider tangent hard sphere chains with dipoles on …