1. 首先是类似这种写法:

Species_g(1) = "CH4"
Species_Alias_g(1) = "CH4"

可能会报错,写在一行可能就好了,如:

Species_g(1) = "CH4"     Species_Alias_g(1) = "CH4"

2. 还有一点需要注意的是, 在dat文件里面,化学式多行的时候,书写格式很敏感,务必写成这种形式:

fwd_pyrolysis_1 {

chem_eq = "COALVM_1 –>"  &
                                           "0.315319 CO + 0.146397 CO2 +" &
                                           "0.0246859 H2S + 0.100533 NH3 +" &
                                           "0.0257736 TAR_1 + 0.01HCN" &
                                           "0.239754 CH4 + 0.418469 H2 +" &
                                           "1.64416 H2O"

}

而不要写成:

fwd_pyrolysis_1 { chem_eq = "COALVM_1 –>"  &
                                           "0.315319 CO + 0.146397 CO2 +" &
                                           "0.0246859 H2S + 0.100533 NH3 +" &
                                           "0.0257736 TAR_1 + 0.01HCN" &
                                           "0.239754 CH4 + 0.418469 H2 +" &
                                           "1.64416 H2O" }

否则会提示你莫名其妙的错误。

3. 再然后就是每个反应式之间别空行,否则也是会报错,说是什么identified out of reaction structure,总之让人各种懵逼。

先记录这么多吧~

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2016.8.5

今天又发现一个梗:在电脑1上编译运行没有问题的文件拿到电脑2上就报错,告知species not found in BURCAT.THR,但是实际上这些物质在BURCAT.THR里面都是有的。然后我就把提示找不到的物质都copy到dat文件里,问题解决。

05-10 23:07