Topic
Calcium oxide
About: Calcium oxide is a research topic. Over the lifetime, 7600 publications have been published within this topic receiving 66104 citations. The topic is also known as: caustic lime & quicklime.
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TL;DR: The parametrization of Ca-O/H interactions within the reactive force field ReaxFF, and its application to study the hydration of calcium oxide surface shows that the water dissociates very fast on CaO {001} bare surfaces without any defect or vacancy.
Abstract: In this work, we present the parametrization of Ca–O/H interactions within the reactive force field ReaxFF, and its application to study the hydration of calcium oxide surface. The force field has been fitted using density functional theory calculations on gas phase calcium–water clusters, calcium oxide bulk and surface properties, calcium hydroxide, bcc and fcc Ca, and proton transfer reactions in the presence of calcium. Then, the reactive force field has been used to study the hydration of the calcium oxide {001} surface with different water contents. Calcium oxide is used as a catalyzer in many applications such as CO2 sequestration and biodiesel production, and the degree of surface hydroxylation is a key factor in its catalytic performance. The results show that the water dissociates very fast on CaO {001} bare surfaces without any defect or vacancy. The surface structure is maintained up to a certain amount of water, after which the surface undergoes a structural rearrangement, becoming a disordere...
170 citations
TL;DR: In this paper, the phase structures, surface morphologies, functional groups of molecules, chemical compositions of the surfaces and the binding energies of atoms in the coating were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR) and Xray photoelectron spectrography (XPS), respectively.
170 citations
TL;DR: In this article, the carbonation reaction rates in highly cycled sorbent particles of CaO (20−100 s of carbonation/calcination cycles) were investigated and a basic reaction model was proved to be sufficient for interpreting the reactivity data obtained under different conditions: partial pressure of CO2, particle sizes and other relevant operation variables.
161 citations
TL;DR: In this article, a nano particle form of lithium impregnated calcium oxide was used as a solid catalyst for transesterification of karanja and jatropha oils, containing 3.4 and 8.3 wt% free fatty acids, respectively.
160 citations
TL;DR: The catalytic activities of calcium oxide obtained from natural sources (crab shell and eggshell) showed that these materials have promising viability in transesterification for biodiesel production.
158 citations