Energy Remediation Combining Insulation Materials Based on Calcium Silicate and Expanded Polymers

Břenek, Aleš; Václavík, Vojtěch; Dvorský, Tomáš; Šimíček, Vojtěch

doi:10.4028/www.scientific.net/msf.865.196

Cited by 1 publication

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“…Our results suggest that C2S has an intrinsically low lattice thermal conductivity of 1.0 W m –1 K –1 at 300 K and 0.3 W m –1 K –1 at 1000 K. C2S is used in interior thermal insulation systems without any water vapor barriers. Because of its resistance to high temperature, it behaves as a high-temperature or flame-retardant insulator . Roels et al, and Hamilton and Hall have studied its hygral properties, as well as its chemical and mineralogical compositions.…”

Section: Resultsmentioning

confidence: 99%

“…Because of its resistance to high temperature, it behaves as a high-temperature or flame-retardant insulator. 60 Roels et al, 61 and Hamilton and Hall 62 have studied its hygral properties, as well as its chemical and mineralogical compositions. A considerable amount of experimental and theoretical research of apparent thermal conductivity of calcium silicate has evolved over a range of temperature and moisture conditions.…”

Section: ■ Computation Detailsmentioning

confidence: 99%

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Understanding of the Elastic Constants, Energetics, and Bonding in Dicalcium Silicate Using First-Principles Calculations

et al. 2018

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Atomistic scale modeling plays an increasingly important role in understanding the structural features and the structure–property relationships of materials. Herein, we systematically investigate the elastic constant, thermal conductivity, phonon dispersion, Raman signature, optical constant, and electronic band structure of dicalcium silicate (β-Ca2SiO4 or C2S) performed with the norm-conserving pseudopotential method based on density functional theory. The obtained elastic constants are well consistent with the experimental and other theoretical values. The lattice thermal conductivity is about 1.0 W m–1 K–1 at 300 K by using the simple Slack model, which manifests that C2S is more likely to be a desirable thermoelectric material. The specific heat capacity at a constant volume (C v ) is about 120.745 J mol–1 K–1 at 300 K from the vibrational frequency. The thermal-state function of C2S such as vibrational entropy (S), vibrational enthalpy (H), and Helmholtz free energy (F) is calculated using the quasi-harmonic oscillator model. The simulated Raman peaks are in an excellent agreement with the experimental results. We demonstrate the significance of Coulombic interactions to understand the bonding feature and electron charge difference.

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Section: Resultsmentioning

confidence: 99%