多元弱酸分布曲线

; Li Ying created this module at Shaanxi Normal University in 2024. If you mention this model in a publication, we ask that you include the citations below.
;Ying, L. (2024). Multicomponent Weak Acid Distribution Curve. School of Chemistry and Chemical Engineering, Shaanxi Normal University.
breed [mode3_ac_s mode3_ac_]
breed [mode3_hacs mode3_hac]
breed [mode3_h2c2o4s mode3_h2c2o4]
breed [mode3_h2c2o4_s mode3_h2c2o4_]
breed [mode3_c2o4_s mode3_c2o4_]
breed [mode3_h3po4s mode3_h3po4]
breed [mode3_h2po4_s mode3_h2po4_]
breed [mode3_hpo4_s mode3_hpo4_]
breed [mode3_po4_s mode3_po4_]
breed [mode3_nh4s mode3_nh4]
breed [mode3_nh3_h2os mode3_nh3_h2o]

globals[
  cur_pH
  MAX_pH
  cur_number  ;显示几个线
  cur_value1  ;第一条线
  cur_value2  ;第一条线
  cur_value3  ;第一条线
  cur_value4  ;第一条线

  H           ;H+
  OH          ;OH-
  cur_value21
  cur_value22
  cur_value23
  cur_value24
]

to setup
  clear-all

  ;参数初始化
  set cur_pH 0

  ;设置画布颜色白色
  ask patches [
    set pcolor white
  ]

  ;初始化海龟
  set-default-shape mode3_ac_s "mode3_ac_"
  set-default-shape mode3_hacs "mode3_hac"
  set-default-shape mode3_h2c2o4s "mode3_h2c2o4"
  set-default-shape mode3_h2c2o4_s "mode3_h2c2o4_"
  set-default-shape mode3_c2o4_s "mode3_c2o4_"
  set-default-shape mode3_h3po4s "mode3_h3po4"
  set-default-shape mode3_h2po4_s "mode3_h2po4_"
  set-default-shape mode3_hpo4_s "mode3_hpo4_"
  set-default-shape mode3_po4_s "mode3_po4_"

  ;初始化图像
  if (Weak-acid = "Monobasic Weak-acid: 0.1M HAc")[
    set cur_number 2
    create-mode3_hacs ((ceiling (100 * Acetic_acid_molecular_calculation_formula)))
    [
      setxy random-xcor random-ycor
      set size 2
    ]
    create-mode3_ac_s ((ceiling (100 * Acetic_acid_ion_calculation_formula)))
    [
      setxy random-xcor random-ycor
      set size 2
    ]
  ]
  if (Weak-acid = "Dibasic Weak-acid: 0.1M H2C2O4") [
    set cur_number 3
    create-mode3_h2c2o4s ((ceiling (100 * Molecular_calculation_formula_of_oxalic_acid)))
    [
      setxy random-xcor random-ycor
      set size 2
    ]
    create-mode3_h2c2o4_s ((ceiling (100 * Formula_for_calculating_hydrogen_oxalate)))
    [
      setxy random-xcor random-ycor
      set size 2
    ]
    create-mode3_c2o4_s ((ceiling (100 * Oxalate_calculation_formula)))
    [
      setxy random-xcor random-ycor
      set size 2
    ]
  ]
  if (Weak-acid = "Terbasic Weak-acid: 0.1M H3PO4") [
    set cur_number 4
    create-mode3_h3po4s ((ceiling (100 * Phosphoric_acid_formula)))
    [
      setxy random-xcor random-ycor
      set size 2
    ]
    create-mode3_h2po4_s ((ceiling (100 * Dihydrogen_phosphate_root_calculation_formula)))
    [
      setxy random-xcor random-ycor
      set size 2
    ]
    create-mode3_hpo4_s ((ceiling (100 * Formula_for_calculating_mono_hydrogen_phosphate)))
    [
      setxy random-xcor random-ycor
      set size 2
    ]
    create-mode3_po4_s ((ceiling (100 * Phosphate_group_calculation_formula)))
    [
      setxy random-xcor random-ycor
      set size 2
    ]
  ]

 reset-ticks
end 

to go
  update_line
  update_graph
  update_graph2

  if cur_pH  <  (SF - 0.001) [
    set cur_pH  (cur_pH + 0.01)
  ]
  print cur_pH
  ask turtles
  [ fd 1                                        ;; move turtles around randomly
    rt random 360
    lt random 360 ]
  print H/OH_switch
  tick
end 

;计算醋酸分子的derta

to-report Acetic_acid_molecular_calculation_formula
  report precision ((10 ^ (- cur_pH)) / ((10 ^ (- cur_pH)) + 0.0000175)) 30
end 

;计算醋酸离子的derta

to-report Acetic_acid_ion_calculation_formula
  report precision ((0.0000175) / ((10 ^ (- cur_pH)) + 0.0000175)) 30
end 

;计算草酸分子的derta

to-report Molecular_calculation_formula_of_oxalic_acid
  report precision ( ((10 ^ (- cur_pH)) ^ 2) / (((10 ^ (- cur_pH)) ^ 2) + (0.059 * (10 ^ (- cur_pH))) + (0.059 * 0.000064)) ) 30
end 

;计算草酸氢根的derta

to-report Formula_for_calculating_hydrogen_oxalate
  report precision ( (0.059 * (10 ^ (- cur_pH))) / (((10 ^ (- cur_pH)) ^ 2) + (0.059 * (10 ^ (- cur_pH))) + (0.059 * 0.000064)) ) 30
end 

;计算草酸根的derta

to-report Oxalate_calculation_formula
  report precision ( (0.059 * 0.000064) / (((10 ^ (- cur_pH)) ^ 2) + (0.059 * (10 ^ (- cur_pH))) + (0.059 * 0.000064)) ) 30
end 

;计算磷酸的derta

to-report Phosphoric_acid_formula
  report precision ( ((10 ^ (- cur_pH)) ^ 3) / (((10 ^ (- cur_pH)) ^ 3) + (0.0076 * ((10 ^ (- cur_pH)) ^ 2)) + (0.0076 * 0.000000063 * (10 ^ (- cur_pH))) + (0.0076 * 0.000000063 * 0.00000000000044)) ) 30
end 

;计算磷酸二氢根的derta

to-report Dihydrogen_phosphate_root_calculation_formula
  report precision ( (0.0076 * ((10 ^ (- cur_pH)) ^ 2)) / (((10 ^ (- cur_pH)) ^ 3) + (0.0076 * ((10 ^ (- cur_pH)) ^ 2)) + (0.0076 * 0.000000063 * (10 ^ (- cur_pH))) + (0.0076 * 0.000000063 * 0.00000000000044)) ) 30
end 

;计算磷酸一氢根的derta

to-report Formula_for_calculating_mono_hydrogen_phosphate
  report precision ( (0.0076 * 0.000000063 * (10 ^ (- cur_pH))) / (((10 ^ (- cur_pH)) ^ 3) + (0.0076 * ((10 ^ (- cur_pH)) ^ 2)) + (0.0076 * 0.000000063 * (10 ^ (- cur_pH))) + (0.0076 * 0.000000063 * 0.00000000000044)) ) 30
end 

;计算磷酸根的derta

to-report Phosphate_group_calculation_formula
  report precision ( (0.0076 * 0.000000063 * 0.00000000000044) / (((10 ^ (- cur_pH)) ^ 3) + (0.0076 * ((10 ^ (- cur_pH)) ^ 2)) + (0.0076 * 0.000000063 * (10 ^ (- cur_pH))) + (0.0076 * 0.000000063 * 0.00000000000044)) ) 30
end 

;计算一水合氨的derta

to-report Ammonia_monohydrate_calculation_formula
  report precision ( (0.00000000000001 / 0.000018) / ((10 ^ (- cur_pH)) + (0.00000000000001 / 0.000018)) ) 2
end 

;计算铵根的derta

to-report Ammonium_calculation_formula
  report precision ( (10 ^ (- cur_pH)) / ((10 ^ (- cur_pH)) + (0.00000000000001 / 0.000018)) ) 2
end 

;更新图像变化

to update_graph
  if (Weak-acid = "Monobasic Weak-acid: 0.1M HAc")[
    let temp_number count mode3_hacs
    if temp_number > (cur_value1 * 100)[
      let resolve_number (temp_number - (cur_value1 * 100))
      ask n-of resolve_number mode3_hacs [
        set breed mode3_ac_s
        set size 2
      ]
    ]
  ]
  if (Weak-acid = "Dibasic Weak-acid: 0.1M H2C2O4")[
    let temp_h2c2o4s count mode3_h2c2o4s
    if temp_h2c2o4s != (cur_value3 * 100)[
      ifelse temp_h2c2o4s > (cur_value3 * 100)[
        let resolve_number (temp_h2c2o4s - (cur_value3 * 100))
        ask n-of resolve_number mode3_h2c2o4s [
          die
        ]
      ][
        create-mode3_h2c2o4s ((cur_value3 * 100) - temp_h2c2o4s)
        [
          setxy random-xcor random-ycor
          set size 2
        ]
      ]
    ]

    let temp_h2c2o4_s count mode3_h2c2o4_s
    if temp_h2c2o4_s != (cur_value1 * 100)[
      ifelse temp_h2c2o4_s > (cur_value1 * 100)[
        let resolve_number2 (temp_h2c2o4_s - (cur_value1 * 100))
        ask n-of resolve_number2 mode3_h2c2o4_s [
          die
        ]
      ][
        create-mode3_h2c2o4_s ((cur_value1 * 100) - temp_h2c2o4_s)
        [
          setxy random-xcor random-ycor
          set size 2
        ]
      ]
    ]

    let temp_c2o4_s count mode3_c2o4_s
    if temp_c2o4_s != (cur_value2 * 100)[
      ifelse temp_c2o4_s > (cur_value2 * 100)[
        let resolve_number3 (temp_c2o4_s - (cur_value2 * 100))
        ask n-of resolve_number3 mode3_c2o4_s [
          die
        ]
      ][
        create-mode3_c2o4_s ((cur_value2 * 100) - temp_c2o4_s)
        [
          setxy random-xcor random-ycor
          set size 2
        ]
      ]
    ]
  ]
  if (Weak-acid = "Terbasic Weak-acid: 0.1M H3PO4") [
    let temp_h3po4s count mode3_h3po4s
    if temp_h3po4s != (cur_value4 * 100)[
      ifelse temp_h3po4s > (cur_value4 * 100)[
        let resolve_number (temp_h3po4s - (cur_value4 * 100))
        ask n-of resolve_number mode3_h3po4s [
          die
        ]
      ][
        create-mode3_h3po4s ((cur_value4 * 100) - temp_h3po4s)
        [
          setxy random-xcor random-ycor
          set size 2
        ]
      ]
    ]

    let temp_h2po4_s count mode3_h2po4_s
    if temp_h2po4_s != (cur_value3 * 100)[
      ifelse temp_h2po4_s > (cur_value3 * 100)[
        let resolve_number2 (temp_h2po4_s - (cur_value3 * 100))
        ask n-of resolve_number2 mode3_h2po4_s [
          die
        ]
      ][
        create-mode3_h2po4_s ((cur_value3 * 100) - temp_h2po4_s)
        [
          setxy random-xcor random-ycor
          set size 2
        ]
      ]
    ]

    let temp_hpo4_s count mode3_hpo4_s
    if temp_hpo4_s != (cur_value1 * 100)[
      ifelse temp_hpo4_s > (cur_value1 * 100)[
        let resolve_number3 (temp_hpo4_s - (cur_value1 * 100))
        ask n-of resolve_number3 mode3_hpo4_s [
          die
        ]
      ][
        create-mode3_hpo4_s ((cur_value1 * 100) - temp_hpo4_s)
        [
          setxy random-xcor random-ycor
          set size 2
        ]
      ]
    ]


    let temp_po4_s count mode3_po4_s
    if temp_po4_s != (cur_value2 * 100)[
      ifelse temp_po4_s > (cur_value2 * 100)[
        let resolve_number4 (temp_po4_s - (cur_value2 * 100))
        ask n-of resolve_number4 mode3_po4_s [
          die
        ]
      ][
        create-mode3_po4_s ((cur_value2 * 100) - temp_po4_s)
        [
          setxy random-xcor random-ycor
          set size 2
        ]
      ]
    ]
  ]
end 

;更新曲线变化

to update_line
  if (Weak-acid = "Monobasic Weak-acid: 0.1M HAc") [
    set cur_value1 Acetic_acid_molecular_calculation_formula  ;醋酸分子
    set cur_value2 Acetic_acid_ion_calculation_formula        ;醋酸离子
  ]
  if (Weak-acid = "Dibasic Weak-acid: 0.1M H2C2O4") [
    set cur_value3 Molecular_calculation_formula_of_oxalic_acid
    set cur_value1 Formula_for_calculating_hydrogen_oxalate
    set cur_value2 Oxalate_calculation_formula
  ]
  if (Weak-acid = "Terbasic Weak-acid: 0.1M H3PO4") [
    set cur_value4 Phosphoric_acid_formula
    set cur_value3 Dihydrogen_phosphate_root_calculation_formula
    set cur_value1 Formula_for_calculating_mono_hydrogen_phosphate
    set cur_value2 Phosphate_group_calculation_formula
  ]
end 

;更新下曲线变化

to update_graph2
  if (Weak-acid = "Monobasic Weak-acid: 0.1M HAc") [
    if H/OH_switch [
      let temp_h (10 ^ (- cur_pH))
      let temp_oh ( (10 ^ (-14)) / temp_h)
      set H ( (ln (temp_h) / ln 10))
      set OH ( (ln (temp_oh) / ln 10))
    ]
    set cur_value22 ( (ln ((precision ((10 ^ (- cur_pH)) / ((10 ^ (- cur_pH)) + 0.0000175)) 10) * 0.1) / ln 10))
    set cur_value21 ( (ln ((precision ((0.0000175) / ((10 ^ (- cur_pH)) + 0.0000175)) 10) * 0.1) / ln 10))
  ]
  if (Weak-acid = "Dibasic Weak-acid: 0.1M H2C2O4") [
    if H/OH_switch[
      let temp_h (10 ^ (- cur_pH))
      let temp_oh ( (10 ^ (-14)) / temp_h)
      set H ( (ln (temp_h) / ln 10))
      set OH ( (ln (temp_oh) / ln 10))
    ]
    set cur_value23 ( (ln ((precision ( ((10 ^ (- cur_pH)) ^ 2) / (((10 ^ (- cur_pH)) ^ 2) + (0.059 * (10 ^ (- cur_pH))) + (0.059 * 0.000064)) ) 30) * 0.1) / ln 10))
    set cur_value22 ( (ln ((precision ( (0.059 * (10 ^ (- cur_pH))) / (((10 ^ (- cur_pH)) ^ 2) + (0.059 * (10 ^ (- cur_pH))) + (0.059 * 0.000064)) ) 10) * 0.1) / ln 10))
    set cur_value21 ( (ln ((precision ( (0.059 * 0.000064) / (((10 ^ (- cur_pH)) ^ 2) + (0.059 * (10 ^ (- cur_pH))) + (0.059 * 0.000064)) ) 10) * 0.1) / ln 10))
  ]
  if (Weak-acid = "Terbasic Weak-acid: 0.1M H3PO4") [
    if H/OH_switch[
      let temp_h (10 ^ (- cur_pH))
      let temp_oh ( (10 ^ (-14)) / temp_h)
      set H ( (ln (temp_h) / ln 10))
      set OH ( (ln (temp_oh) / ln 10))
    ]
    set cur_value24 ( (ln ((precision ( ((10 ^ (- cur_pH)) ^ 3) / (((10 ^ (- cur_pH)) ^ 3) + (0.0076 * ((10 ^ (- cur_pH)) ^ 2)) + (0.0076 * 0.000000063 * (10 ^ (- cur_pH))) + (0.0076 * 0.000000063 * 0.00000000000044)) ) 30) * 0.1) / ln 10))
    set cur_value23 ( (ln ((precision ( (0.0076 * ((10 ^ (- cur_pH)) ^ 2)) / (((10 ^ (- cur_pH)) ^ 3) + (0.0076 * ((10 ^ (- cur_pH)) ^ 2)) + (0.0076 * 0.000000063 * (10 ^ (- cur_pH))) + (0.0076 * 0.000000063 * 0.00000000000044)) ) 10) * 0.1) / ln 10))
    set cur_value22 ( (ln ((precision ( (0.0076 * 0.000000063 * (10 ^ (- cur_pH))) / (((10 ^ (- cur_pH)) ^ 3) + (0.0076 * ((10 ^ (- cur_pH)) ^ 2)) + (0.0076 * 0.000000063 * (10 ^ (- cur_pH))) + (0.0076 * 0.000000063 * 0.00000000000044)) ) 10) * 0.1) / ln 10))
    set cur_value21 ( (ln ((precision ( (0.0076 * 0.000000063 * 0.00000000000044) / (((10 ^ (- cur_pH)) ^ 3) + (0.0076 * ((10 ^ (- cur_pH)) ^ 2)) + (0.0076 * 0.000000063 * (10 ^ (- cur_pH))) + (0.0076 * 0.000000063 * 0.00000000000044)) ) 30) * 0.1) / ln 10))
  ]
end