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[求助]
用PHREEQC模拟地下水中铁和六价铬的反应，怎么定义呀？已有1人参与
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TITLE ZVI reacted with Cr(VI) in ground water. SOLUTION_MASTER_SPECIES Fe(0) Fe 0 Fe 56 Fe(2) Fe+2 0.0 Fe Fe(3) Fe+3 -2.0 Fe Cr(2) Cr+2 0.0 Cr Cr(3) Cr(OH)2+ 0.0 Cr Cr(6) CrO4-2 1.0 Cr SOLUTION_SPECIES Fe - 2 e- = Fe+2 log_k -7.5 CrO4-2 + 8 H+ + 3 e- = Cr+3 + 4 H2O Log_K 20.2 SOLUTION 1 PURE WATER pH 7.0 temp 25.0 Units ppm Cr(6) 23.267 Fe0 100 N(5) 0.290 as NO3- N(3) 0.033 as NO2- N(-3) 0.054 as NH4+ K 16.20 as K+ Na 20.40 as Na+ Ca 3.00 as Ca+2 Mg 1.07 as Mg+2 Cl 35.5 as Cl- S 11.2 as SO4-2 Alkalinity 9.6 as CO3-2 C(4) 7.32 as HCO3- END 输出老是错误： ERROR: Elements in species have not been tabulated, Fe. ERROR: Reaction for species has not been defined, Fe. ERROR: Calculations terminating due to input errors. Stopping. 求大神指导.....修改 |
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