Molecular Dynamics Simulations of the Effect of NaCl-Doping on the Calcination Characteristics in Desulfurization Processes
スポンサーリンク
概要
- 論文の詳細を見る
Desulfurization performance of wasted seashells was found to be over twice as high as that of limestone, which was currently used as a desulfurizer in fluidized bed coal combustors. NaCl-doping into limestone was also found to be effective in improving the desulfurization efficiency. From X-ray diffraction (XRD) analyses of calcined seashell, limestone and NaCl-doped limestone, on the other hand, not only the calcined seashell but also the NaCl-doped limestone had strong peaks of CaO crystal, and those two materials also had high desulfurization activity. This improvement was hypothesized to be due to NaCl causing a change in the crystal structure of CaO. In order to elucidate the effect of NaCl addition on the CaO crystal structure in the incineration of CaCO3, the change of structures was simulated by means of molecular dynamics simulations of CaO. In the simulation one molecule of NaCl was exchanged into one molecule of CaO. A pair correlation functions and the distances between Ca and O atoms, which were obtained by the simulations, were compared with those from the crystal CaO.NaCl-doping affected the crystalization temperature of CaO. The crystallization temperature increased due to adding a little bit of NaCl. From the result of the pair correlation functions obtained in NaCl-doped CaO, the difference of the potential energy of NaCl from that of CaO seemed to contribute to the crystallization of the bulk of CaO. The simulation and experimental results obtained suggested that NaCl-doping contributed to crystallizing the CaO molecules.
- 社団法人 化学工学会の論文
- 2003-03-01
著者
-
Naruse Ichiro
Department Of Ecological Engineering Toyohashi University Of Technology
-
Kurita Noriyuki
Department Of Knowledge-based Information Engineering Toyohashi University Of Technology
-
MURAKAMI TAKAHIRO
Department of Ecological Engineering, Toyohashi University of Technology
-
Murakami Takahiro
Department Of Applied Chemistry School Of Engineering Tokai University
-
Murakami Takahiro
Department Of Ecological Engineering Toyohashi University Of Technology
-
Naruse Ichiro
Department of Ecological Engineering, Toyohashi University of Technology
関連論文
- Formation Characteristics of Fine Particulates with Na Compounds during Coal Combustion
- Control of Ash Deposition in Pulverized Coal Combustor
- Induction of the Hydrocephalus by the Intraventricular Injection of Aurintricarboxylic Acid in Mice Exo Utero
- The Role of Apoptosis in the Manifestation of Polydactyly and Arhinencephaly in Genetic Mutant Mouse Pdn/Pdn
- Molecular Dynamics Simulations of the Effect of NaCl-Doping on the Calcination Characteristics in Desulfurization Processes
- FUNDAMENTALS ON COMBUSTION AND GASIFICATION BEHAVIOR OF COAL PARTICLE TRAPPED ON MOLTEN SLAG LAYER
- Thermodynamic analysis of the role of chlorine and sulfur environments during combustion and incineration processes
- Comparative Study of Lead and Cadmium Compounds Capture by Sorbents
- Fundamentals on Vaporization Behavior of Trace Metal Compounds at Different Atmospheres and Temperatures
- Control of Ash Deposition in Pulverized Coal Combustor
- Fundamental Reaction Characteristics of Pulverized Coal at High Temperature
- Reaction Behavior of Coke Lump in Raceway of Blast Furnace with Pulverized Coallnjection
- Ash Deposition Characteristics in Pulverized Coal Reaction under High Temperature Conditions
- DOS Calculation Analysis of New Transparent Conductor Mg(OH)2-C
- EFFECTS OF ALL-TRANS-RETINOIC ACID ON LIMB DEVELOPMENT IN THE GENETIC POLYDACTYLY MOUSE
- Speech Enhancement by Spectral Subtraction Based on Subspace Decomposition(Speech and Hearing)
- Pulse Control of Dephasing in Two-Level Quantum Systems(General)
- Measurement of Similarity between Latent Variables
- Time-Domain Blind Signal Separation of Convolutive Mixtures via Multidimensional Independent Component Analysis
- Sinusoidal Parameter Estimation Using Roots of an Algebraic Equation
- Prediction of Evolution Characteristics of Alkali Metal Compounds in Coal Combustion/Gasification from Coal Properties
- Pulse Control of Decoherence with Population Decay(General)
- Pulse Control of Dephasing in Two-Level Quantum Systems(General)