Specific heat capacity

In thermodynamics, the specific heat capacity (symbol ''c'') of a substance is the heat capacity of a sample of the substance divided by the mass of the sample, also sometimes referred to as massic heat capacity. Informally, it is the amount of heat that must be added to one unit of mass of the substance in order to cause an increase of one unit in temperature. The SI unit of specific heat capacity is joule per kelvin per kilogram, J⋅kg−1⋅K−1. For example, the heat required to raise the temperature of 1kg of water by 1K is 4184joules, so the specific heat capacity of water is 4184J⋅kg−1⋅K−1. Specific heat capacity often varies with temperature, and is different for each state of matter. Liquid water has one of the highest specific heat capacities among common substances, about 4184J⋅kg−1⋅K−1 at 20 °C; but that of ice, just below 0 °C, is only 2093J⋅kg−1⋅K−1. The specific heat capacities of iron, granite, and hydrogen gas are about 449 J⋅kg−1⋅K−1, 790&nbsp

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A data-science approach to predict the heat capacity of nanoporous materials

Mehrdad Asgari, Özge Kadioglu, Seyedmohamad Moosavi, Elias Moubarak, Balázs Álmos Novotny, Daniele Ongari, Andres Adolfo Ortega Guerrero, Berend Smit

The heat capacity of a material is a fundamental property of great practical importance. For example, in a carbon capture process, the heat required to regenerate a solid sorbent is directly related to the heat capacity of the material. However, for most materials suitable for carbon capture applications, the heat capacity is not known, and thus the standard procedure is to assume the same value for all materials. In this work, we developed a machine learning approach, trained on density functional theory simulations, to accurately predict the heat capacity of these materials, that is, zeolites, metal-organic frameworks and covalent-organic frameworks. The accuracy of our prediction is confirmed with experimental data. Finally, for a temperature swing adsorption process that captures carbon from the flue gas of a coal-fired power plant, we show that for some materials, the heat requirement is reduced by as much as a factor of two using the correct heat capacity.

NATURE PORTFOLIO2022

Canted antiferromagnetic phases in the candidate layered Weyl material EuMnSb2

Xiao Wang

EuMnSb2 is a candidate topological material which can be tuned towards a Weyl semimetal, but there are differing reports for its antiferromagnetic (AFM) phases. The coupling of bands dominated by pure Sb layers hosting topological fermions to Mn and Eu magnetic states provides a potential path to tune the topological properties. Here we present single-crystal neutron diffraction, magnetization, and heat-capacity data as well as polycrystalline 151Eu M??ssbauer data which show that three AFM phases exist as a function of temperature, and we present a detailed analysis of the magnetic structure in each phase. The Mn magnetic sublattice orders into a C-type AFM structure below TNMn = 323(1) K with the ordered Mn magnetic moment ??Mn lying perpendicular to the layers. AFM ordering of the Eu sublattice occurs below TNEu1 = 23(1) K with the ordered Eu magnetic moment ??Eu canted away from the layer normal and ??Mn retaining its higher temperature order. ??Eu is ferromagnetically aligned within each Eu layer but exhibits a complicated AFM layer stacking. Both of these higher-temperature phases are described by magnetic space group (MSG) Pn'm'a' with the chemical and magnetic unit cells having the same dimensions. Cooling below TNEu2= 9(1) K reveals a third AFM phase where ??Mn remains unchanged but ??Eu develops an additional substantial in-plane canting. This phase a' . We also find some evidence of short-range magnetic correlations associated with the Eu between 12 K ??? T ??? 30 K. Using the determined magnetic structures, we postulate the signs of nearest-neighbor intralayer and interlayer exchange constants and the magnetic anisotropy within a general Heisenberg model. We then discuss implications of the various AFM states in EuMnSb2 and their potential for tuning topological properties.

AMER PHYSICAL SOC2022

Structural systems and rotation capacity

Université de Liège, Belgique1998

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