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응집과 파괴현상을 고려한 결정화공정의 동적모사법 연구

A Study on the Dynamic Simulation of Crystallization Processes Including Agglomeration and Breakage

이기백 윤인섭^1†

Gibaek Lee En Sup Yoon^1†

충주대학교 공업화학과/나노기술연구소, 충북 380-702 ¹서울대학교 공과대학 응용화학부, 서울 151-742

Department of Industrial Chemistry/Nano Technology Laboratory, Chung-Ju National University, Chungbuk 380-702, Korea ¹School of Chemical Engineering, Seoul National University, Seoul 151-742, Korea

HWAHAK KONGHAK, April 2002, 40(2), 179-187(9), NONE

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Abstract

본 연구는 안료, 제약, 세제 등 다양한 화학공정과 관련되어 있는 중요한 분리방법의 하나인 결정화공정의 동적모사법에 관한 연구이다. 결정화공정에서는 핵생성, 성장, 응집, 파괴 등 다양한 현상이 나타나는데 그 모델이 일반적인 상미분방정식 및 산술식 뿐만 아니라 편미분방정식과 적분식을 포함하여 매우 복잡하기 때문에, 동적모사가 어려웠고 다른 화학공정과 달리 설계 및 해석 등이 주로 실험에 의존하여 왔다. 본 연구의 모사법은 특성법에 기초하여 기존 방법론들의 해가 보였던 불안정성과 수치적 확산 문제를 피하도록 하였다. 격자를 적응적으로 생성시키고 제거하는 적응격자법을 특성법과 결합하여 수치해의 정확성과 효율성을 증가시켰다. 또한 응집과 파괴속도의 계산과정과 격자 적응화 과정에서 결정의 두 모멘텀인 결정의 수와 질량을 보존하도록 하는 수치적 계산전략을 개발하였다. 이렇게 제안된 방법의 성능을 사례연구를 통해 확인하였다.

This study focuses on the simulation method for crystallization processes, that is the most important unit operations and is widely used in the chemical industry such as pigments, pharmaceuticals, and detergents, etc. The process includes the kinetics of nucleation, growth, agglomeration, and breakage. Because the models are very complex to become partial and_x000D_ ordinary differential, algebraic and integral equations(IPDAE), it is very difficult to get a numerical solution. And, it makes process design and analysis depend on experiments. In this study, the simulation is based on the method of characteristics to avoid the difficulties of numerical diffusion and stability that bother the previous methods in this area. In order to improve the accuracy and efficiency of the simulation, this study combines the method of characteristics with the adaptive mesh method, which adaptively adds and eliminates meshes as the solution varies. The proposed method can conserve crystal number and mass in the representation of agglomeration/breakage event and mesh adaptation. The proposed method is validated through_x000D_ the simulation of case studies.

Keywords

Crystallization Dynamic Simulation Adaptive Mesh Method Agglomeration Breakage

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