Correlation between the equation of state and the temperature and pressure dependence of thermal conductivity of polymers and simple liquids

Saeki, Susumu; Tsubokawa, Masakazu; Yamaguchi, Takuji

doi:10.1016/0032-3861(90)90017-s

Cited by 5 publications

(3 citation statements)

References 18 publications

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“…However, the prediction was far from accurate, since the prediction model did not consider any other effects except polymer chemical formula and temperature . Although there are more refined theories for thermal conductivity of amorphous polymer, none of them are able to provide a detailed relationship between molecule details and macroscopic thermal conductivity, impairing their predictive power. − An investigation of such a relation will be beneficial for understanding the thermal transport mechanism in amorphous polymers and help guide the design of high thermal conductivity polymers.…”

Section: Introductionmentioning

confidence: 99%

Role of Chain Morphology and Stiffness in Thermal Conductivity of Amorphous Polymers

2016

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Designing thermally conductive polymer is of scientific interest and practical importance for applications like thermal interface materials, electronics packing, and plastic heat exchangers. In this work, we study the fundamental relationship between the molecular morphology and thermal conductivity in bulk amorphous polymers. We use polyethylene as a model system and performed systematic parametric study in molecular dynamics simulations. We find that the thermal conductivity is a strong function of the radius of gyration of the molecular chains, which is further correlated to persistence length, an intrinsic property of the molecule that characterizes molecular stiffness. Larger persistence length can lead to more extended chain morphology and thus higher thermal conductivity. Further thermal conductivity decomposition analysis shows that thermal transport through covalent bonds dominates the effective thermal conductivity over other contributions from nonbonded interactions (van der Waals) and translation of molecules disregarding the morphology. As a result, the more extended chains due to larger persistence length provide longer spatial paths for heat to transfer efficiently and thus lead to higher thermal conductivity. In addition, rigid rod-like polymers with very large persistence length tend to spontaneously crystallize and form orientated chains, leading to a thermal conductivity increase by more than 1 order of magnitude. Our results will provide important insights into the design of thermally conductive amorphous polymers.

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Section: Introductionmentioning

confidence: 99%

Role of Chain Morphology and Stiffness in Thermal Conductivity of Amorphous Polymers

2016

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“…Thermal conductivity is an important material property in many polymer processing operations, because heat needs to be added or removed for most polymer processing processes, and such processes cannot be properly controlled or optimized unless the heat transfer is well understood. Investigation of thermal conductivities of solid and molten polymers has been carried out by many researchers theoretically [1][2][3][4] and experimentally. [5][6][7][8] Datta and Mashelkar 9 have summarized the experimental data, measurement techniques, correlations, and theory up through about 1983, and Caruthers et al 10 reviewed the existing data, theories, and correlations up to about 1998.…”

Section: Introductionmentioning

confidence: 99%

A Group Contribution Model for the Prediction of the Thermal Conductivity of Polymer Melts

Zhong

Yang

Wang

2001

Ind. Eng. Chem. Res.

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A group contribution model was proposed for the prediction of the thermal conductivity of polymer melts. The model requires only the existing group contribution methods for the estimation of specific heats, densities, and melting temperatures in the calculation of thermal conductivity for polymer melts. For 11 polymer melt systems tested, predictive accuracy of the model is normally better than 10%. Because only group parameters are needed in the calculation, this model is predictive and is very convenient for practical use.

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“…Although investigations on the temperature dependence of the thermal conductivity of polymers have been carried out by many researchers theoretically 1-4 and experimentally, − relevant studies on the pressure dependence of the thermal conductivity of polymers are still rare . Experimental measurements on the pressure dependence of the thermal conductivity of molten and glassy polymers have been carried out by Lohe, Dietz, Sandberg and Backstrom, Barker et al, and Andersson et al, ,− and modeling studies have been pursued by Frost et al, Saeki et al, etc. Though the existing models can give good correlations for a wide temperature and pressure range, they require experimental thermal conductivity data to fit the substance-dependent parameters included in the models, which indicates that the models do not have predictive capabilities.…”

Section: Introductionmentioning

confidence: 99%

New Model for the Prediction of the Pressure Dependence of Thermal Conductivity of Polymer Melts

and

Yang

2001

Ind. Eng. Chem. Res.

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A new model was proposed for the prediction of the pressure dependence of the thermal conductivity of polymer melts. The model requires only a known or predicted atmospheric pressure thermal conductivity datum and the Tait equation parameters in the calculation of the thermal conductivity for polymer melts at high pressures. For eight polymer melt systems tested, the predicted average absolute deviation of the model is normally smaller than 10% for a wide pressure range. Because the model can be used for polymer systems where no thermal conductivity data exist, it is a predictive model with satisfactory accuracy, which is very convenient for practical use.

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Correlation between the equation of state and the temperature and pressure dependence of thermal conductivity of polymers and simple liquids

Cited by 5 publications

References 18 publications

Role of Chain Morphology and Stiffness in Thermal Conductivity of Amorphous Polymers

Role of Chain Morphology and Stiffness in Thermal Conductivity of Amorphous Polymers

A Group Contribution Model for the Prediction of the Thermal Conductivity of Polymer Melts

New Model for the Prediction of the Pressure Dependence of Thermal Conductivity of Polymer Melts

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