Effects of temperature on the thermal conductivity of amorphous CaO–SiO2–Al2O3 slags: a computational insight
文献信息
Shuheng Huang
Amorphous CaO–SiO2–Al2O3 (CSA) slags are widely used in the glass, ceramic, cement and metallurgy industries. Temperature, as an external condition, plays an important role in the thermal conductivity of silicates. Herein, the effects of temperature on the thermal conductivity of CSA slags were systematically investigated by using equilibrium molecular dynamics (EMD) simulations. Moreover, the effects of the composition and the structural unit on the thermal conductivity of CSA slags were examined. The results showed that the thermal conductivity of amorphous CSA slags significantly increases with an increase in temperature in the range of 1273 to 1973 K. Furthermore regression analysis based on a machine learning method showed that the temperature is the most crucial factor that affects the thermal conductivity of amorphous CSA slags, and high CaO/Al2O3 and CaO/SiO2 molar ratios can lead to high thermal conductivity.
相关文献
Diffusion ordered spectroscopy (DOSY) as applied to polymers
DOI: 10.1039/C7PY01577A
Ferromagnetic iron oxide–cellulose nanocomposites prepared by ultrasonication
Razvan Rotaru, Marcela Savin, Nita Tudorachi, Cristian Peptu, Petrisor Samoila, Liviu Sacarescu, Valeria Harabagiu
DOI: 10.1039/C7PY01587A
A pH-responsive polymer based on dynamic imine bonds as a drug delivery material with pseudo target release behavior
Yangchun Tao, Siwei Liu, Yi Zhang, Zhenguo Chi, Jiarui Xu
DOI: 10.1039/C7PY02108A
Hyperbranched polysiloxane with highly constrained rings and the effect of the attached arms on the assembly behavior
Chunyan Wu, Chunhua Hu, Yuzhou Liu
DOI: 10.1039/C7PY01177F
The effects of polymer topology and chain length on the antimicrobial activity and hemocompatibility of amphiphilic ternary copolymers
Rashin Namivandi-Zangeneh, Rebecca J. Kwan, Thuy-Khanh Nguyen, Jonathan Yeow, Frances L. Byrne, Edgar H. H. Wong, Cyrille Boyer
DOI: 10.1039/C7PY01069A
Generation of a carbon dots/ammonium persulfate redox initiator couple for free radical frontal polymerization
DOI: 10.1039/C7PY01969F
Macroporous poly(ionic liquid)/ionic liquid gels via CO2-based emulsion-templating polymerization
Kevin Mathieu, Christine Jérôme, Antoine Debuigne
DOI: 10.1039/C7PY01952A
Ab initio based kinetic Monte Carlo analysis to unravel the propagation kinetics in vinyl acetate pulsed laser polymerization
Gilles B. Desmet, Yoshi W. Marien, Paul H. M. Van Steenberge, Marie-Françoise Reyniers, Guy B. Marin
DOI: 10.1039/C7PY01008G
您可能还喜欢
如何储存1,2-环己二酮环乙缩醛(CAS号:4746-96-7)?
1,2-环己二酮环乙缩醛应储存在阴凉、干燥、通风良好的地方,避免阳光直射。建议使用密封容器保存,并保持环境温度在室温范围内,远离火源和热源。
Ecopladib(CAS号:381683-92-7)的市场或研究趋势如何?
Ecopladib作为一种新型的药物,主要应用于治疗高胆固醇等疾病。目前,市场和研究趋势显示,Ecopladib因其独特的药理作用而受到关注。随着对心血管疾病治...
2,3-Dimethyl-3H-imidazo[4,5-c]pyridine(CAS号:52538-09-7)通常如何合成?
2,3-二甲基-3H-咪唑[4,5-c]吡啶通常通过咪唑和2,3-二甲基吡啶的缩合反应合成。具体来说,将咪唑和2,3-二甲基吡啶在适当的溶剂中进行加热或加压反应...
2,3,4,5-tetrahydro-1H-3-苯并氮杂环;盐酸盐(CAS号:17379-01-0)的市场或研究趋势如何?
该化合物在药物化学和有机合成中有一定的应用。近年来,随着对新型药物化合物的需求增加,该化合物的研究趋势主要集中在探索其生物活性,尤其是其在神经系统疾病治疗中的潜...
如何储存盐酸甘氨酸丁酯(CAS号:13048-99-2)?
盐酸甘氨酸丁酯应储存在阴凉、干燥、通风良好的地方,避免阳光直射和高温环境,温度应控制在25℃以下。储存容器应密封,避免与空气中的水分和酸性物质接触,以防发生水解...
什么是2-Iodo-N,N-dimethylbenzamide(CAS号:54616-46-5)?
2-碘-N,N-二甲基苯胺是一种有机化合物,化学名为2-Iodo-N,N-dimethylbenzamide。其分子式为C<sub>9</sub>H<sub>1...
5-溴-2-(4H-1,2,4-三唑-4-基)吡啶(CAS号:959240-99-4)的市场或研究趋势如何?
随着医药、农药和新材料领域的发展,该化合物作为关键中间体的应用日益增多。特别是在药物合成中,由于其独特的化学性质,可以用于合成多种药物分子。未来的研究趋势可能集...
2,4-二溴-6-三氟甲基嘧啶(CAS号:785778-00-9)通常如何合成?
2,4-二溴-6-三氟甲基嘧啶通常通过溴化反应合成。首先,将6-三氟甲基嘧啶与溴化剂(如液溴)在适当的溶剂(如二氯甲烷、四氢呋喃)中反应,加入适当的催化剂(如四...
来源期刊
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.










![S-[2,3-Bis(palmitoyloxy)propyl]-N-[(9H-fluoren-9-ylmethoxy)(hydroxy)methylene]cysteine structure S-[2,3-Bis(palmitoyloxy)propyl]-N-[(9H-fluoren-9-ylmethoxy)(hydroxy)methylene]cysteine structure](https://cnstatic.chemtradehub.com/structs/210/210532-98-2-f6a7.webp)



