Experimental and Numerical Study on Thermal Conductivity of Proton Exchange Membrane

Chen, Lei; Hu, Zhang; Zhong-zhen, LI; Wu, Tao

doi:10.1166/jnn.2015.9633

Cited by 16 publications

(5 citation statements)

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“…Among the structures, the thermal conductivity of the Nafion (m = 1, n = 2) membrane is 0.24 W • m −1 • K −1 at 300 K, which matches with the data in the literature 45…”

Section: Resultssupporting

confidence: 88%

Computer-Aided Design of a Perfluorinated Sulfonic Acid Proton Exchange Membrane Using Stochastic Optimization and Molecular Dynamic Method

Guo

Liu

Zhang

et al. 2021

Ind. Eng. Chem. Res.

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In this paper, a computer-aided polymer design (CAPD) framework with a stochastic optimization model is proposed for the design of perfluorinated sulfonic acid proton exchange membrane (PFSA-PEM) with desired properties. First, the requirements and target characteristics are identified and converted to property constraints. Then, the polymer design model is formulated as a stochastic optimization problem in which the operation temperature is treated as a random variable. Subsequently, the formulated stochastic mixed integer nonlinear programming problem is solved by a two-stage strategy. In stage I, molecular dynamics is utilized to simulate the target properties for different structures and quantities of side chains, thus establishing the quantitative structure−property relationship. In stage II, the operation temperature is considered subject to a specified probability distribution. The optimization model is solved to obtain the optimal polymer structure over the operating temperature range. Finally, a case study of PFSA-PEM design is given to illustrate the application of the CAPD framework.

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“…Among the structures, the thermal conductivity of the Nafion (m = 1, n = 2) membrane is 0.24 W • m −1 • K −1 at 300 K, which matches with the data in the literature 45…”

Section: Resultssupporting

confidence: 88%

Computer-Aided Design of a Perfluorinated Sulfonic Acid Proton Exchange Membrane Using Stochastic Optimization and Molecular Dynamic Method

Guo

Liu

Zhang

et al. 2021

Ind. Eng. Chem. Res.

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“…But as one of the nanoscale simulation methods, molecular dynamics (MD) simulation is a powerful tool to explore the nanoscale information in molecule level. [4][5][6][7][8][9][10][11][12][13][14][15][16][17][18][19] And based on MD simulation, many researches have been carried out to explore the structural properties, [5][6][7][8] proton transport, [9][10][11][12][13] gas molecules transport, 4,14,15 mechanical deformation, 16,17 thermal conductivity 18,19 of PFSA membrane. For the structural properties of PFSA membrane, Liu et al 5 analyzed the relationships between structural properties and water content, equivalent weight and molecular weight of PFSA polymers.…”

mentioning

confidence: 99%

“…Furthermore, the thermal conductivity of PFSA membrane was found to increase as water content and temperature increase by non-equilibrium molecular dynamics simulation. 18 Zheng et al 19 demonstrated that the thermal conductivity of Aciplex membrane was higher than Dow and Nafion membrane.…”

mentioning

confidence: 99%

Effects of Side Chain Length on the Structure, Oxygen Transport and Thermal Conductivity for Perfluorosulfonic Acid Membrane: Molecular Dynamics Simulation

Fan

Wang

et al. 2019

J. Electrochem. Soc.

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Many researches have indicated that the side chain length of perfluorosulfonic acid (PFSA) polymers had nonnegligible effects on PFSA membrane properties. However, the effects have not been completely revealed yet. This paper uses molecular dynamics simulation to explore the effects of side chain length on the structure, oxygen transport and thermal conductivity of PFSA membrane. In PFSA membrane with longer side chains, the maximum size of water clusters is larger, while the connectivity of water clusters is poorer and size distribution of water clusters is more heterogenous. And the structural characteristics have a strong effect on the diffusion and solubility coefficient of oxygen molecules. The diffusion of oxygen molecules may be hindered due to the existence of small pores in PFSA membrane with longer side chains even at high water content, leading to a lower diffusion coefficient. In addition, with the increment of water content λ, the solubility coefficient of oxygen molecules in PFSA membrane with shorter side chains decreases more quickly at λ < 12, resulting in a most obvious difference of solubility coefficients for different side chain lengths when λ is about 12. Moreover, the thermal conductivity of PFSA membrane with shorter side chains is higher.

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“…In recent years, a theoretical calculation is always used to simulate the molecular's structure and the film's properties. Molecular dynamic simulations can quickly help to construct most materials' structures and provide many different models to calculate relevant information [30][31][32]. Wei et al [33] used molecular dynamic simulations to obtain the adsorption of CO 2 in some ZIF-8 analogs.…”

Section: Introductionmentioning

confidence: 99%

Corrosion Resistance of Li-Al LDHs Film Modified by Methionine for 6063 Al Alloy in 3.5 wt.% NaCl Solution

Chang

et al. 2022

Coatings

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Methionine(Met) was introduced to modify the Li-Al layered double hydroxides (LDHs) film prepared on 6063 aluminum alloy by in situ method for the first time. Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy, Scanning electron microscopy, and X-ray diffraction confirmed the successful insertion of Met into LDHs film and revealed that the introduction of Met could make the LDHs film much denser. Electrochemical tests illustrated that the corrosion rate of the Met modified LDHs film was reduced by more than an order of magnitude compared with the bare Al alloy. Moreover, the corrosion rate of the modified LDHs film after immersion in 3.5 wt.% NaCl solution for 21 days was almost the same as that without immersion, which indicates that the modified film has good corrosion durability. The corrosion resistance of the scratched modified film could recover to the level without a scratch on the 14th day based on the scratch test results, meaning the modified film has a good self-healing property. Finally, the anti-corrosion mechanism of the Met was proved by molecular dynamic simulations and found that the enhanced corrosion resistance may be attributed to the addition of Met that slowed the diffusion of the corrosive medium Cl− and water molecules.

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Experimental and Numerical Study on Thermal Conductivity of Proton Exchange Membrane

Cited by 16 publications

References 0 publications

Computer-Aided Design of a Perfluorinated Sulfonic Acid Proton Exchange Membrane Using Stochastic Optimization and Molecular Dynamic Method

Computer-Aided Design of a Perfluorinated Sulfonic Acid Proton Exchange Membrane Using Stochastic Optimization and Molecular Dynamic Method

Effects of Side Chain Length on the Structure, Oxygen Transport and Thermal Conductivity for Perfluorosulfonic Acid Membrane: Molecular Dynamics Simulation

Corrosion Resistance of Li-Al LDHs Film Modified by Methionine for 6063 Al Alloy in 3.5 wt.% NaCl Solution

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