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K/MoS2 촉매상에서 일산화탄소와 수소로부터의 혼합알코올제조에 관한 반응속도식의 모델링

Kinetic Modeling on Mixed Alcohol Synthesis from CO and H2 over K/MoS2 Catalyst

HWAHAK KONGHAK, February 1993, 31(1), 78-93(16), NONE
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Abstract

K/MoS2 촉매상에서, 일산화탄소와 수소로부터의 혼합알코올제조에 관한 반응속도론적 모델을 유도하였다. CO 삽입기구로 설명될 수 있는 선형혼합알코올의 합성, 생성물의 전화율 및 선택도를 잘 표현할 수 있는 반응속도식을 유도하여 보다 확고한 반응경로를 확립하였다. 반응중간체에 정상상태가정을 사용하여, 40개의 비선형연립 미분방정식의 형태로 반응속도식을 유도하였다. 유도된 반응속도식은 반응실험조건내의 실험값을 잘 예측하였으며, 이로부터 촉매의 활성에 대한 반응조건의 영향을 아울러 고찰하였다. 알코올류의 생성을 위한 최적온도는 320℃ 부근이었으며, 압력은 높을수록 알코올류의 생성에 유리하였다.
A kinetic model on the synthesis of mixed alcohol from CO and H2 over K/MoS2 catalyst has been developed. The formation of linear mixed alcohol can be elucidated by CO insertion mechanism so that a rigorous kinetic network has been developed to derive the kinetic model that well describes the conversion and selectivity of products. Kinetic model derived in this study consists of 40 coupled nonlinear differential equations with the steady state approximation for reaction intermediates. The model well predicted the experimental observations within the experimental condition. The effect of reaction conditions on the catalytic activity was also examined. Optimal temperature of CO conversion for alcohols was ca. 320℃ and the higher the reactor pressure the more alcohols are produced.

Keywords

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