물 분해용 4 반응 클러스터 합성을 위한 사전적 탐색 알고리즘

최수형; Soo Hyoung Choi

Korean Chemical Engineering Research, Vol.42, No.1, 121-123, February, 2004

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물 분해용 4 반응 클러스터 합성을 위한 사전적 탐색 알고리즘

A Lexicographic Search Algorithm for Synthesis of Four Reaction Clusters for Water Decomposition

최수형 ^†

전북대학교 화학공학부, 561-756 전북 전주시 덕진구 덕진동 1가 664-14

Soo Hyoung Choi^†

School of Chemical Engineering and Technology, Chonbuk National University, 664-14, 1 Ga, Duckjin-dong, Duckjin-gu, Jeonju, Jeonbuk 561-756, Korea

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초록

현재 물 분해 연구는 주로 세 개 이하의 반응들로 구성된 클러스터들을 다루지만 네 개 또는 다섯 개 반응의 클러스터들도 실험되고 있다. 본 논문에서는 이전에 제안하였던 사전적 탐색 알고리즘을 확장하여 조합폭발에도 불구하고 네 개의 반응으로 구성된 클러스터들을 찾을 수 있는 방법을 제안한다. 이 방법은 사례연구로서 열역학적으로 가능한 반응들의 집합에 적용되어 비교적 낮은 온도에서 가능한 클러스터 후보들을 다수 생성할 수 있음을 보여준다. 제안된 탐색 알고리즘을 조업가능성이 확인된 반응식 집합에 대해 적용하면 효율적인 물 분해 반응 클러스터들을 합성할 수 있을 것으로 기대된다.

Most of the studies on water decomposition currently deal with clusters composed of three or less reactions, but four or five reaction clusters are also being experimented. A method is proposed in this paper, which expands the previously proposed lexicographic search algorithm so that clusters composed of four reactions can be sought in spite of combinatorial explosion. As a case study, this method is applied to a set of thermodynamically feasible reactions, and shows that it can generate a lot of candidate clusters that are feasible at relatively low temperatures. If the proposed search algorithm is applied to a set of reactions whose operability is confirmed, it is expected to be able to synthesize efficient reaction clusters for water decomposition.

Keywords:Lexicographic Search;Reaction Cluster;Water Decomposition;Combinatorial Explosion

[References]

Choi SH, Palmer T, Manousiouthakis V, "A Novel Method for the Automatic Synthesis of Reaction Clusters Incorporating Thermoydnamic and Separability Criteria," Energy and the Environment-Topical Conference Proceedings of AIChE 2000 Annual Meeting, 76-80 (2000)
Kim HG, Choi SH, Manousiouthakis V, Theor. Appl. Chem. Eng., 7(2), 3159 (2001)
Kim HG, Choi SH, Kim BJ, HWAHAK KONGHAK, 40(4), 436 (2002)
Brown LC, Besenbruch GE, Lentsch RD, Schultz KR, Funk JF, Pickard PS, Marshall AC, Showalter SK, "High Efficiency Generation of Hydrogen Fuels using Nuclear Power," General Atomics Report GA-A24285 (2003)

[Related Articles]

[1] Choi SH, Palmer T, Manousiouthakis V, "A Novel Method for the Automatic Synthesis of Reaction Clusters Incorporating Thermoydnamic and Separability Criteria," Energy and the Environment-Topical Conference Proceedings of AIChE 2000 Annual Meeting, 76-80 (2000)

[2] Kim HG, Choi SH, Manousiouthakis V, Theor. Appl. Chem. Eng., 7(2), 3159 (2001)

[3] Kim HG, Choi SH, Kim BJ, HWAHAK KONGHAK, 40(4), 436 (2002)

[4] Brown LC, Besenbruch GE, Lentsch RD, Schultz KR, Funk JF, Pickard PS, Marshall AC, Showalter SK, "High Efficiency Generation of Hydrogen Fuels using Nuclear Power," General Atomics Report GA-A24285 (2003)