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EQUILIBRIUM STATE CALCULATION METHOD, CORROSION PRODUCT ESTIMATION METHOD AND EQUILIBRIUM STATE CALCULATION DEVICE
EQUILIBRIUM STATE CALCULATION METHOD, CORROSION PRODUCT ESTIMATION METHOD AND EQUILIBRIUM STATE CALCULATION DEVICE
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机译：平衡态计算方法，腐蚀产物估计方法和平衡态计算装置
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摘要
PROBLEM TO BE SOLVED: To precisely estimate an equilibrium state.;SOLUTION: An equilibrium state calculation method comprises the steps of: calculating a first equilibrium concentration which is an equilibrium concentration of respective components of two or more reactions when respective reactions independently occur from an initial state of a system to be an equilibrium state with respect to at least two or more reactions among a plurality of reactions; calculating free energy variation in the first equilibrium concentration with respect to two or more reactions in which the first equilibrium concentration is calculated; calculating a second equilibrium concentration which is an equilibrium concentration of respective components of two or more reactions when two or more reactions in which the first equilibrium concentration is calculated occur from the initial state in the descending order of absolute value of the free energy variation; and calculating the equilibrium state of the system based on the second equilibrium concentration. The equilibrium state calculation method repeats the above steps at each predetermined time interval in which the equilibrium state of the system calculated by the second equilibrium concentration calculation step performed immediately therebefore is used as an initial state of the system in the first equilibrium concentration calculation step performed for the second time or thereafter.;SELECTED DRAWING: Figure 1;COPYRIGHT: (C)2018,JPO&INPIT
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