molten salt的电解模拟
请问怎样模拟Ca3(PO4)2在熔融CaCl2中电解的反应（没有水）方程式：2Ca3(PO4)2 (in CaCl2)=P4(g)+5O2(g)+6CaO(in CaCl2)
Ca3(PO4)2(in CaCl2)+5C(s)=0.5P4(g)+5CO(g)+3CaO(in CaCl2) (C电极）
谢谢
本帖最后由 banknation 于 2020-12-21 06:11 编辑
你在百度中搜索一下英文资料，有Aspen Plus模拟固体氧化物电池文献，可做为参考。
例如：
Doherty, W., A. Reynolds, et al. (2010). "Computer simulation of a biomass gasification-solid oxide fuel cell power system using Aspen Plus." Energy In Press, Corrected Proof.
摘要：The operation and performance of a SOFC (solid oxide fuel cell) stack on biomass syn-gas from a biomass gasification CHP (combined heat and power) plant is investigated. The objective of this work is to develop a model of a biomass-SOFC system capable of predicting performance under diverse operating conditions. The tubular SOFC technology is selected. The SOFC stack model, equilibrium type based on Gibbs free energy minimisation, is developed using Aspen Plus. The model performs heat and mass balances and considers ohmic, activation and concentration losses for the voltage calculation. The model is validated against data available in the literature for operation on natural gas. Operating parameters are varied; parameters such as fuel utilisation factor (Uf), current density (j) and STCR (steam to carbon ratio) have significant influence. The results indicate that there must be a trade-off between voltage, efficiency and power with respect to j and the stack should be operated at low STCR and high Uf. Operation on biomass syn-gas is compared to natural gas operation and as expected performance degrades. The realistic design operating conditions with regard to performance are identified. High efficiencies are predicted making these systems very attractive.
跟模拟电解质一样的啊 这个很难。。。 55656937 发表于 2020-12-21 10:11
跟模拟电解质一样的啊
电解质要求溶剂一定是水，但是我这个溶剂不是水 banknation 发表于 2020-12-21 06:10
你在百度中搜索一下英文资料，有Aspen Plus模拟固体氧化物电池文献，可做为参考。
例如：
Doherty, W., A ...
好的，我去看一下 nuriko 发表于 2020-12-21 13:09
电解质要求溶剂一定是水，但是我这个溶剂不是水
对的，所以模拟的时候要加入微量水，这个是模拟技巧。 55656937 发表于 2020-12-22 10:18
对的，所以模拟的时候要加入微量水，这个是模拟技巧。
好的，我试一下 谢谢楼主分享2
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