The Experts below are selected from a list of 41766 Experts worldwide ranked by ideXlab platform
Zhengang Wang - One of the best experts on this subject based on the ideXlab platform.
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Theory of Polymer chains in poor solvent single chain structure solution thermodynamics and θ point
Macromolecules, 2014Co-Authors: Rui Wang, Zhengang WangAbstract:Using the language of the Flory chi parameter, we develop a Theory that unifies the treatment of the single-chain structure and the solution thermodynamics of Polymers in poor solvents. The structure of a globule and its melting thermodynamics is examined using the self-consistent filed Theory. Our results show that the chain conformation involves three states prior to the globule-to-coil transition: the fully-collapsed globule, the swollen globule and the molten globule, which are distinguished by the core density and the interfacial thickness. By examining the chain-length dependence of the melting of the swollen globule, we find universal scaling behavior in the chain properties near the Theta point. The information of density profile and free energy of the globule is used in the dilute solution thermodynamics to study the phase equilibrium of Polymer solution. Our results show different scaling behavior of the solubility of Polymers in the dilute solution compared to the F-H Theory, both in the chi dependence and the chain-length dependence. From the perspectives of single chain structure and solution thermodynamics, our results verifies the consistency of the Theta point defined by different criteria in the limit of infinite chain length: the disappearance of the second viral coefficient, the abrupt change in chain size and the critical point in the phase diagram of the Polymer solution. Our results show the value of chi at the Theta point is 0.5 (for the case of equal monomer and solvent volume), which coincides with the value predicted from the F-H Theory.
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Theory of Polymer chains in poor solvent single chain structure solution thermodynamics and theta point
arXiv: Soft Condensed Matter, 2014Co-Authors: Rui Wang, Zhengang WangAbstract:Using the language of the Flory chi parameter, we develop a Theory that unifies the treatment of the single-chain structure and the solution thermodynamics of Polymers in poor solvents. The structure of a globule and its melting thermodynamics is examined using the self-consistent filed Theory. Our results show that the chain conformation involves three states prior to the globule-to-coil transition: the fully-collapsed globule, the swollen globule and the molten globule, which are distinguished by the core density and the interfacial thickness. By examining the chain-length dependence of the melting of the swollen globule, we find universal scaling behavior in the chain properties near the Theta point. The information of density profile and free energy of the globule is used in the dilute solution thermodynamics to study the phase equilibrium of Polymer solution. Our results show different scaling behavior of the solubility of Polymers in the dilute solution compared to the F-H Theory, both in the chi dependence and the chain-length dependence. From the perspectives of single chain structure and solution thermodynamics, our results verifies the consistency of the Theta point defined by different criteria in the limit of infinite chain length: the disappearance of the second viral coefficient, the abrupt change in chain size and the critical point in the phase diagram of the Polymer solution. Our results show the value of chi at the Theta point is 0.5 (for the case of equal monomer and solvent volume), which coincides with the value predicted from the F-H Theory.
Charles E. Sing - One of the best experts on this subject based on the ideXlab platform.
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Correction: Transfer matrix Theory of Polymer complex coacervation.
Soft matter, 2019Co-Authors: Tyler K. Lytle, Charles E. SingAbstract:Correction for ‘Transfer matrix Theory of Polymer complex coacervation’ by Tyler K. Lytle et al., Soft Matter, 2017, 13, 7001–7012.
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transfer matrix Theory of Polymer complex coacervation
Soft Matter, 2017Co-Authors: Tyler K. Lytle, Charles E. SingAbstract:Oppositely charged polyelectrolytes can undergo a macroscopic, associative phase separation in solution, via a process known as complex coacervation. Significant recent effort has gone into providing a clear, physical picture of coacervation; most work has focused on improving the field Theory picture that emerged from the classical Voorn–Overbeek Theory. These methods have persistent issues, however, resolving the molecular features that have been shown to play a major role in coacervate thermodynamics. In this paper, we outline a theoretical approach to coacervation based on a transfer matrix formalism that is an alternative to traditional field-based approaches. We develop theoretical arguments informed by experimental observation and simulation, which serve to establish an analytical expression for Polymeric complex coacervation that is consistent with the molecular features of coacervate phases. The analytical expression provided by this Theory is in a form that can be incorporated into more complicated theoretical or simulation formalisms, and thus provides a starting point for understanding coacervate-driven self-assembly or biophysics.
Rui Wang - One of the best experts on this subject based on the ideXlab platform.
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Theory of Polymer chains in poor solvent single chain structure solution thermodynamics and θ point
Macromolecules, 2014Co-Authors: Rui Wang, Zhengang WangAbstract:Using the language of the Flory chi parameter, we develop a Theory that unifies the treatment of the single-chain structure and the solution thermodynamics of Polymers in poor solvents. The structure of a globule and its melting thermodynamics is examined using the self-consistent filed Theory. Our results show that the chain conformation involves three states prior to the globule-to-coil transition: the fully-collapsed globule, the swollen globule and the molten globule, which are distinguished by the core density and the interfacial thickness. By examining the chain-length dependence of the melting of the swollen globule, we find universal scaling behavior in the chain properties near the Theta point. The information of density profile and free energy of the globule is used in the dilute solution thermodynamics to study the phase equilibrium of Polymer solution. Our results show different scaling behavior of the solubility of Polymers in the dilute solution compared to the F-H Theory, both in the chi dependence and the chain-length dependence. From the perspectives of single chain structure and solution thermodynamics, our results verifies the consistency of the Theta point defined by different criteria in the limit of infinite chain length: the disappearance of the second viral coefficient, the abrupt change in chain size and the critical point in the phase diagram of the Polymer solution. Our results show the value of chi at the Theta point is 0.5 (for the case of equal monomer and solvent volume), which coincides with the value predicted from the F-H Theory.
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Theory of Polymer chains in poor solvent single chain structure solution thermodynamics and theta point
arXiv: Soft Condensed Matter, 2014Co-Authors: Rui Wang, Zhengang WangAbstract:Using the language of the Flory chi parameter, we develop a Theory that unifies the treatment of the single-chain structure and the solution thermodynamics of Polymers in poor solvents. The structure of a globule and its melting thermodynamics is examined using the self-consistent filed Theory. Our results show that the chain conformation involves three states prior to the globule-to-coil transition: the fully-collapsed globule, the swollen globule and the molten globule, which are distinguished by the core density and the interfacial thickness. By examining the chain-length dependence of the melting of the swollen globule, we find universal scaling behavior in the chain properties near the Theta point. The information of density profile and free energy of the globule is used in the dilute solution thermodynamics to study the phase equilibrium of Polymer solution. Our results show different scaling behavior of the solubility of Polymers in the dilute solution compared to the F-H Theory, both in the chi dependence and the chain-length dependence. From the perspectives of single chain structure and solution thermodynamics, our results verifies the consistency of the Theta point defined by different criteria in the limit of infinite chain length: the disappearance of the second viral coefficient, the abrupt change in chain size and the critical point in the phase diagram of the Polymer solution. Our results show the value of chi at the Theta point is 0.5 (for the case of equal monomer and solvent volume), which coincides with the value predicted from the F-H Theory.
Tyler K. Lytle - One of the best experts on this subject based on the ideXlab platform.
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Correction: Transfer matrix Theory of Polymer complex coacervation.
Soft matter, 2019Co-Authors: Tyler K. Lytle, Charles E. SingAbstract:Correction for ‘Transfer matrix Theory of Polymer complex coacervation’ by Tyler K. Lytle et al., Soft Matter, 2017, 13, 7001–7012.
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transfer matrix Theory of Polymer complex coacervation
Soft Matter, 2017Co-Authors: Tyler K. Lytle, Charles E. SingAbstract:Oppositely charged polyelectrolytes can undergo a macroscopic, associative phase separation in solution, via a process known as complex coacervation. Significant recent effort has gone into providing a clear, physical picture of coacervation; most work has focused on improving the field Theory picture that emerged from the classical Voorn–Overbeek Theory. These methods have persistent issues, however, resolving the molecular features that have been shown to play a major role in coacervate thermodynamics. In this paper, we outline a theoretical approach to coacervation based on a transfer matrix formalism that is an alternative to traditional field-based approaches. We develop theoretical arguments informed by experimental observation and simulation, which serve to establish an analytical expression for Polymeric complex coacervation that is consistent with the molecular features of coacervate phases. The analytical expression provided by this Theory is in a form that can be incorporated into more complicated theoretical or simulation formalisms, and thus provides a starting point for understanding coacervate-driven self-assembly or biophysics.
Stephen L Craig - One of the best experts on this subject based on the ideXlab platform.
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quantitative adjustment to the molecular energy parameter in the lake thomas Theory of Polymer fracture energy
Macromolecules, 2019Co-Authors: Shu Wang, Sergey Panyukov, Michael Rubinstein, Stephen L CraigAbstract:We present a conceptual framework for adding molecular details of chain extension and force-coupled bond dissociation to the Lake–Thomas model of tear energy in rubbery crack propagation. Incorporating data reported from single-molecule force spectroscopy experiments provides an estimate for the stored energy per bond at fracture of ∼60 kJ mol–1 for typical hydrocarbon Polymers, well below the typical carbon–carbon bond dissociation energy in these systems. Opportunities to test and exploit the role of molecular extension and covalent bond scission in experimental systems are proposed.
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quantitative adjustment to the molecular energy parameter in the lake thomas Theory of Polymer fracture energy
Macromolecules, 2019Co-Authors: Shu Wang, Sergey Panyukov, Michael Rubinstein, Stephen L CraigAbstract:We present a conceptual framework for adding molecular details of chain extension and force-coupled bond dissociation to the Lake–Thomas model of tear energy in rubbery crack propagation. Incorpora...