In this paper,the polymer chain of rotator(PCOR) equation of state(EOS) was used together with an EOS/G^E mixing rule(MHV1) and the Wilson's equation as an excess-Gibbs-energy model in the proposed approach to ext...In this paper,the polymer chain of rotator(PCOR) equation of state(EOS) was used together with an EOS/G^E mixing rule(MHV1) and the Wilson's equation as an excess-Gibbs-energy model in the proposed approach to extend the capability and improve the accuracy of the PCOR EOS for predicting the Henry's constant of solutions containing polymers.The results of the proposed method compared with two equation of state(van der Waals and GC-Flory) and three activity coefficient models(UNIFAC,UNIFAC-FV and Entropic-FV) indicated that the PCOR EOS/Wilson's equation provided more accurate results.The interaction parameters of Wilson's equation were fitted with Henry's constant experimental data and the property parameters of PCOR,a and b,were fitted with experimental volume data(Tait equation).As a result,the present work provided a simple and useful model for prediction of Henry's constant for polymer solutions.展开更多
The present paper describes experiments aimed at delineating significant chemical characteristics of electrochemical reactions in polymeric solutions, including how rigid solvent environments affect mass transport rat...The present paper describes experiments aimed at delineating significant chemical characteristics of electrochemical reactions in polymeric solutions, including how rigid solvent environments affect mass transport rates, and also discusses the possibility that the microelectrode coated with poly(ethylene oxide)(PEO) film can be used as gas sensor.展开更多
In this work the statistical mechanical equation of state was developed for volumetric properties of crystalline and amorphous polymer blends.The Ihm-Song-Mason equations of state(ISMEOS) based on temperature and dens...In this work the statistical mechanical equation of state was developed for volumetric properties of crystalline and amorphous polymer blends.The Ihm-Song-Mason equations of state(ISMEOS) based on temperature and density at melting point(T_m and ρ_m) as scaling constants were developed for crystalline polymers such as poly(propylene glycol) + poly(ethylene glycol)-200(PPG + PEG-200),poly(ethylene glycol) methyl ether-300(PEGME-350) + PEG-200 and PEGME-350 + PEG-600.Furthermore,for amorphous polymer blends containing poly(2,6-dimethyl-1,4-phenylene oxide)(PPO) + polystyrene(PS) and PS + poly(vinylmethylether)(PVME),the density and surface tension at glass transition(ρ_g and γ_g) were used for estimation of second Virial coefficient.The calculation of second Virial coefficients(B_2),effective van der Waals co-volume(b) and correction factor(α) was required for judgment about applicability of this model.The obtained results by ISMEOS for crystalline and amorphous polymer blends were in good agreement with the experimental data with absolute average deviations of 0.84%and 1.04%,respectively.展开更多
Solvation structures fundamentally control the ion-transport dynamics and mechanical properties of polymer electrolytes.However,there is a lack of strategies to rationally regulate the solvation structures and fundame...Solvation structures fundamentally control the ion-transport dynamics and mechanical properties of polymer electrolytes.However,there is a lack of strategies to rationally regulate the solvation structures and fundamental understanding on how they control the electrochemical performances.Herein,by harnessing the electrostatic adsorption of one-dimensional nanofiller(i.e.,surface-charged halloysite nanotubes,d-HNTs),we successfully fabricate a high-performance polymer nanocomposite electrolyte enabled by strong surface adsorption,referred as adsorption-state polymer electrolyte(ASPE).This ASPE shows fast ion transport(0.71±0.05 mS cm^(-1)at room temperature),high mechanical strength and toughness(10.3±0.05 MPa;15.73 MJ m^(-3)),improved lithium-ion transference number,and long cycle life with lithium metal anode,in comparison with the sample without the d-HNT adsorption effect.To fundamentally understand these high performances,an anion-rich asymmetric solvent structure model is further proposed and evidenced by both experiments and simulation studies.Results show that the electrostatic adsorption among the d-HNT,ionic liquid electrolyte,and polymer chain generates a nano filler-supported fast ion-conduction pathway with asymmetric Li+-coordination microenvironment.Meanwhile,the anion-rich asymmetric solvent structure model of ASPE also generates a fast de-solvation and anion-derived stable solid-electrolyte interphase for lithium metal anode.The high performance and understanding of the mechanism for ASPE provide a promising path to develop advanced polymer electrolytes.展开更多
Rechargeable lithium-metal batteries that are operated based on reversible metal plating and stripping during the charge/discharge process are known for their high energy density far beyond the conventional,graphite-a...Rechargeable lithium-metal batteries that are operated based on reversible metal plating and stripping during the charge/discharge process are known for their high energy density far beyond the conventional,graphite-anode-based Li-ion batteries[1].However,the hostless structural evolution of Li metal during the anode process easily forms dendrites and could lead to a hazardous short circuit of batteries[2].In addition.展开更多
基金financial support provided by Islamic Azad University of Mahshahr Branch,Iran
文摘In this paper,the polymer chain of rotator(PCOR) equation of state(EOS) was used together with an EOS/G^E mixing rule(MHV1) and the Wilson's equation as an excess-Gibbs-energy model in the proposed approach to extend the capability and improve the accuracy of the PCOR EOS for predicting the Henry's constant of solutions containing polymers.The results of the proposed method compared with two equation of state(van der Waals and GC-Flory) and three activity coefficient models(UNIFAC,UNIFAC-FV and Entropic-FV) indicated that the PCOR EOS/Wilson's equation provided more accurate results.The interaction parameters of Wilson's equation were fitted with Henry's constant experimental data and the property parameters of PCOR,a and b,were fitted with experimental volume data(Tait equation).As a result,the present work provided a simple and useful model for prediction of Henry's constant for polymer solutions.
文摘The present paper describes experiments aimed at delineating significant chemical characteristics of electrochemical reactions in polymeric solutions, including how rigid solvent environments affect mass transport rates, and also discusses the possibility that the microelectrode coated with poly(ethylene oxide)(PEO) film can be used as gas sensor.
文摘In this work the statistical mechanical equation of state was developed for volumetric properties of crystalline and amorphous polymer blends.The Ihm-Song-Mason equations of state(ISMEOS) based on temperature and density at melting point(T_m and ρ_m) as scaling constants were developed for crystalline polymers such as poly(propylene glycol) + poly(ethylene glycol)-200(PPG + PEG-200),poly(ethylene glycol) methyl ether-300(PEGME-350) + PEG-200 and PEGME-350 + PEG-600.Furthermore,for amorphous polymer blends containing poly(2,6-dimethyl-1,4-phenylene oxide)(PPO) + polystyrene(PS) and PS + poly(vinylmethylether)(PVME),the density and surface tension at glass transition(ρ_g and γ_g) were used for estimation of second Virial coefficient.The calculation of second Virial coefficients(B_2),effective van der Waals co-volume(b) and correction factor(α) was required for judgment about applicability of this model.The obtained results by ISMEOS for crystalline and amorphous polymer blends were in good agreement with the experimental data with absolute average deviations of 0.84%and 1.04%,respectively.
基金financial support from the National Natural Science Foundation of China(52203123)the Sichuan Science and Technology Program(2023NSFSC0991)+2 种基金the State Key Laboratory of Polymer Materials Engineering(sklpme 2023-1-05 and sklpme 2024-2-04)the Fundamental Research Funds for the Central Universitiespartially sponsored by the Double First-Class Construction Funds of Sichuan University。
文摘Solvation structures fundamentally control the ion-transport dynamics and mechanical properties of polymer electrolytes.However,there is a lack of strategies to rationally regulate the solvation structures and fundamental understanding on how they control the electrochemical performances.Herein,by harnessing the electrostatic adsorption of one-dimensional nanofiller(i.e.,surface-charged halloysite nanotubes,d-HNTs),we successfully fabricate a high-performance polymer nanocomposite electrolyte enabled by strong surface adsorption,referred as adsorption-state polymer electrolyte(ASPE).This ASPE shows fast ion transport(0.71±0.05 mS cm^(-1)at room temperature),high mechanical strength and toughness(10.3±0.05 MPa;15.73 MJ m^(-3)),improved lithium-ion transference number,and long cycle life with lithium metal anode,in comparison with the sample without the d-HNT adsorption effect.To fundamentally understand these high performances,an anion-rich asymmetric solvent structure model is further proposed and evidenced by both experiments and simulation studies.Results show that the electrostatic adsorption among the d-HNT,ionic liquid electrolyte,and polymer chain generates a nano filler-supported fast ion-conduction pathway with asymmetric Li+-coordination microenvironment.Meanwhile,the anion-rich asymmetric solvent structure model of ASPE also generates a fast de-solvation and anion-derived stable solid-electrolyte interphase for lithium metal anode.The high performance and understanding of the mechanism for ASPE provide a promising path to develop advanced polymer electrolytes.
基金supported by the National Natural Science Foundation of China(22279028,22179018)the Natural Science Foundation of Hebei Province(B2021205019)the 333 Project of Hebei Province(C20231106).
文摘Rechargeable lithium-metal batteries that are operated based on reversible metal plating and stripping during the charge/discharge process are known for their high energy density far beyond the conventional,graphite-anode-based Li-ion batteries[1].However,the hostless structural evolution of Li metal during the anode process easily forms dendrites and could lead to a hazardous short circuit of batteries[2].In addition.
