MOLECULAR REACTION MODELING METHOD

To provide a novel method of efficiently building a molecular reaction model for petroleum using a computer.SOLUTION: A method disclosed herein comprises: defining core lumping and a lumped reaction network by combining FT-ICR-MS analysis results and a lumping model; simplifying the defined reaction...

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Hauptverfasser:	NGUYEN THI PHONG THUI, TSUJI KOJI, KATAOKA SHO, MITANI NAOHIRO, TANAKA RYUZO, TAKAHASHI YUKI
Format:	Patent
Sprache:	eng ; jpn
Schlagworte:	CHEMISTRY CRACKING HYDROCARBON OILS FUELS INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTEDFOR SPECIFIC APPLICATION FIELDS INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIRCHEMICAL OR PHYSICAL PROPERTIES LUBRICANTS MEASURING METALLURGY MINERAL WAXES PEAT PETROLEUM, GAS OR COKE INDUSTRIES PHYSICS PRODUCTION OF LIQUID HYDROCARBON MIXTURES, e.g. BY DESTRUCTIVEHYDROGENATION, OLIGOMERISATION, POLYMERISATION RECOVERY OF HYDROCARBON OILS FROM OIL-SHALE, OIL-SAND, ORGASES REFINING MIXTURES MAINLY CONSISTING OF HYDROCARBONS REFORMING OF NAPHTHA TECHNICAL GASES CONTAINING CARBON MONOXIDE TESTING
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Beschreibung
Zusammenfassung:	To provide a novel method of efficiently building a molecular reaction model for petroleum using a computer.SOLUTION: A method disclosed herein comprises: defining core lumping and a lumped reaction network by combining FT-ICR-MS analysis results and a lumping model; simplifying the defined reaction network using a computer; drawing molecular reactions based on the results, and estimating a product based on a structure.SELECTED DRAWING: Figure 2 【課題】コンピュータを用いて石油の分子反応を効率よく構築する新たな手法を提供する。【解決手段】ＦＴ−ＩＣＲ−ＭＳ分析結果とランピングモデルとを組み合わせ、先ずコアのランピング及びランピングした反応ネットワークを定義し、コンピュータを用いて定義された反応ネットワークを簡略化し、それらの結果に基づいて分子の反応を描写し、構造に基づき生成物を推定する。【選択図】図２