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기상반응에 의한 철분말 제조시 임계핵 크기 계산

Calculation of Critical Size of Nucleus in the Production of Iron Powders Using the Gas Phase Reaction

HWAHAK KONGHAK, April 1996, 34(2), 253-256(4), NONE
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Abstract

기상에서 염화제1철을 수소로 환원하여 철미립자를 제조할 경우 기존의 고전적 모델에 의하면 철 원자 1.2개가 임계핵을 이루는 것으로 알려져 있다. 본 연구에서는 atomistic 모델을 이용하여 철의 임계핵 크기를 계산하였으며, 고전적 모델에 의한 계산결과와 비교하였다. 과포화도 500,000에서 고전적 모델에 의하면 1.32개의 원자가 하나의 임계핵을 이루는 반면, atomistic 모델에 의할 경우 48.1개의 원자가 필요한 것으로 계산되었다. Atomistic 모델을 사용할 경우 임계핵 크기에 미치는 과포화도의 영향이 상대적으로 작은 것으로 나타났다. 철과 같이 증기압이 매우 낮은 물질의 임계핵 크기 계산에는 고전적 모델 보다는 atomistic 모델을 사용하는 것이 바람직할 것으로 생각된다.
According to the classical model, one or two iron atoms may be enough to form a critical nucleus in the production of iron powders by reducing ferrous chloride with hydrogen. In the present work, the nucleus size was calculated using the atomistic model and compared with that by the classical model. For a supersaturation ratio of 500,000, the number of iron atoms constituting a critical nucleus was calculated to be 1.32 with the classical model and 48.1 with the atomistic model. The dependency of the nucleus size on the supersaturation ratio was relatively less with the atomistic model. In the calculation of critical nucleus size of materials like iron, the vapor pressure of which is very low, it would be desirable to use the atomistic model, rather than the classical model.

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