电离平衡

; 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). Ionization Equilibrium. School of Chemistry and Chemical Engineering, Shaanxi Normal University.
breed [mode5_h2o_t mode5_h2o]
breed [mode5_h_t  mode5_h]
breed [mode5_oh_t  mode5_oh]
breed [mode5_na_t  mode5_na]
breed [mode5_cl_t  mode5_cl]
breed [mode5_nh4_t  mode5_nh4]
breed [mode5_nh3h2o_t  mode5_nh3h2o]
breed [mode5_ac_t  mode5_ac]
breed [mode5_hac_t  mode5_hac]
breed [mode5_nacl_t  mode5_nacl]
breed [mode5_naac_t  mode5_naac]
breed [mode5_nh4cl_t  mode5_nh4cl]
breed [mode5_nh4ac_t  mode5_nh4ac]

globals[
  Init_flag
  Up_T_flag
  add_CH3COOH_flag
  add_hcl_flag
  add_NaOH_flag
  add_CH3COONa_flag
  add_nh3_flag
  add_NH4Cl_flag
  add_water_flag
  h_count
  oh_count
  ac_count
  hac_count
  nh3h2o_count
  nh4_count

  plot1
  plot2
  plot3
  plot4
  plot5
  plot6
  Up_T_figure_flag
  add_CH3COOH_figure_flag
  add_hcl_figure_flag
  add_NaOH_figure_flag
  add_CH3COONa_figure_flag
  add_nh3_figure_flag
  add_NH4Cl_figure_flag
  add_water_figure_flag
]

to setup
  clear-all
  ;设置画布颜色白色
  ask patches [
    set pcolor white
  ]

  ;;初始化海龟
  set-default-shape mode5_ac_t  "ac"
  set-default-shape mode5_h_t   "h"
  set-default-shape mode5_oh_t  "oh"
  set-default-shape mode5_hac_t "hac"
  set-default-shape mode5_naac_t "naac"
  set-default-shape mode5_na_t "na"
  set-default-shape mode5_nh3h2o_t "nh3h20"
  set-default-shape mode5_nh4_t "nh4"
  set-default-shape mode5_nh4cl_t "nh4cl"
  set-default-shape mode5_cl_t "cl"

  if (Compound  = "CH3COOH")[
    create-mode5_hac_t (20)
    [
      setxy random-xcor random-ycor
      set size 3
    ]
  ]
  if (Compound  = "NH3.H2O")[
    create-mode5_nh3h2o_t (20)
    [
      setxy random-xcor random-ycor
      set size 3
    ]
  ]

  set Init_flag 0
  set Up_T_flag 0
  set add_CH3COOH_flag 0
  set add_hcl_flag 0
  set add_NaOH_flag 0
  set add_CH3COONa_flag 0
  set add_nh3_flag 0
  set add_NH4Cl_flag 0
  set add_water_flag 0

  reset-ticks
end 

to go
  if ticks mod 300 = 0 [
    Hydrolytic_separation

    ask turtles
    [
      fd 1                                        ;; move turtles around randomly
      rt random 360
      lt random 360
    ]

    if (Compound  = "CH3COOH")[
      set h_count count mode5_h_t
      set ac_count count mode5_ac_t
      set hac_count count mode5_hac_t
      set oh_count count mode5_oh_t
    ]
    if (Compound  = "NH3.H2O")[
      set nh3h2o_count count mode5_nh3h2o_t
      set nh4_count count mode5_nh4_t
      set h_count count mode5_h_t
      set oh_count count mode5_oh_t
    ]
  ]

  tick
end 

;;解离

to Hydrolytic_separation
  if (Compound  = "CH3COOH")[
    if Init_flag = 0[
      let temp_number count mode5_hac_t
      if temp_number > 15[
        if ticks mod 3000 = 0 [
          let mode5_hac_t_molecule one-of turtles with [breed = mode5_hac_t]
          ;;将一个hac分子变成h + ac
          ask mode5_hac_t_molecule [
            set breed mode5_h_t
            set size 2
          ];;创建一个oh
          create-mode5_ac_t (1)
          [
            setxy random-xcor random-ycor
            set size 3
          ]
        ]
      ]
      if temp_number = 15[
        set Init_flag 1
      ]
    ]
  ]
  if (Compound  = "NH3.H2O") [
    if Init_flag = 0[
      let temp_number count mode5_nh3h2o_t
      if temp_number > 15[
        if ticks mod 3000 = 0 [
          let mode5_nh3h2o_t_molecule one-of turtles with [breed = mode5_nh3h2o_t]
          ;;将一个hac分子变成h + ac
          ask mode5_nh3h2o_t_molecule [
            set breed mode5_nh4_t
            set size 3
          ];;创建一个oh
          create-mode5_oh_t (1)
          [
            setxy random-xcor random-ycor
            set size 3
          ]
        ]
      ]
      if temp_number = 15[
        set Init_flag 1
      ]
    ]
  ]
end 

;;加入按键

to add
end 

;;升温按键

to Up_T
  set Up_T_figure_flag 1
  if (Compound  = "CH3COOH")[
    if Up_T_flag = 0[
      if ticks mod 3000 = 0 [
        let x 0
        let y 0
        if (count mode5_hac_t  > 10)[
          let turtle_mode5_hac_t n-of 1 mode5_hac_t
          ask turtle_mode5_hac_t [
            set x xcor
            set y ycor
            set breed mode5_h_t
            set size 2
          ]
          create-mode5_ac_t 1
          [
            setxy x y
            set size 3
          ]
        ]
        if (count mode5_hac_t  = 10)[
          set Up_T_flag 1
        ]
      ]
    ]
  ]
  if (Compound  = "NH3.H2O")[
    if Up_T_flag = 0[
      if ticks mod 3000 = 0 [
        let x 0
        let y 0
        if (count mode5_nh3h2o_t  > 10)[
          let turtle_mode5_nh3h2o_t n-of 1 mode5_nh3h2o_t
          ask turtle_mode5_nh3h2o_t [
            set x xcor
            set y ycor
            set breed mode5_oh_t
            set size 3
          ]
          create-mode5_nh4_t 1
          [
            setxy x y
            set size 3
          ]
        ]
        if (count mode5_nh3h2o_t  = 10)[
          set Up_T_flag 1
        ]
      ]
    ]
  ]
end 

;;加CH3COOH按键

to add_CH3COOH
  set add_CH3COOH_figure_flag 1
  if (Compound  = "CH3COOH")[
    if ticks mod 3000 = 0 [
      if add_CH3COOH_flag = 1[
        let turtle_xys []  ; 创建一个空列表来存储坐标对
        let turtle_mode5_hac_t n-of 2 mode5_hac_t
        ask turtle_mode5_hac_t [
          let xys list xcor ycor  ; 创建一个包含当前乌龟坐标对的列表
          set turtle_xys lput xys turtle_xys  ; 将当前乌龟的坐标对添加到列表中
          set breed mode5_h_t
          set size 2
        ]
        foreach turtle_xys [
          xy ->
          create-mode5_ac_t 1 [
            setxy (item 0 xy) (item 1 xy)  ; 根据坐标对生成乌龟
            set size 3  ; 可根据需要设置乌龟颜色
          ]
        ]
        set add_CH3COOH_flag 2
      ]
      if add_CH3COOH_flag = 0[
        create-mode5_hac_t 10
        [
          setxy random-xcor random-ycor
          set size 3
        ]
        set add_CH3COOH_flag 1
      ]
    ]
  ]
end 

;;加水按键

to add_water
  set add_water_figure_flag 1
  if (Compound  = "CH3COOH")[
    if add_water_flag = 0[
      if ticks mod 3000 = 0 [
        let x 0
        let y 0
        if (count mode5_hac_t  > 8)[
          let turtle_mode5_hac_t n-of 1 mode5_hac_t
          ask turtle_mode5_hac_t [
            set x xcor
            set y ycor
            set breed mode5_h_t
            set size 2
          ]
          create-mode5_ac_t 1
          [
            setxy x y
            set size 3
          ]
        ]
        if (count mode5_hac_t  = 8)[
          set add_water_flag 1
        ]
      ]
    ]
  ]
  if (Compound  = "NH3.H2O")[
    if add_water_flag = 0[
      if ticks mod 3000 = 0 [
        let x 0
        let y 0
        if (count mode5_nh3h2o_t  > 8)[
          let turtle_mode5_nh3h2o_t n-of 1 mode5_nh3h2o_t
          ask turtle_mode5_nh3h2o_t [
            set x xcor
            set y ycor
            set breed mode5_oh_t
            set size 3
          ]
          create-mode5_nh4_t 1
          [
            setxy x y
            set size 3
          ]
        ]
        if (count mode5_nh3h2o_t  = 8)[
          set add_water_flag 1
        ]
      ]
    ]
  ]
end 

;;加CH3COONa按键

to add_CH3COONa
  set add_CH3COONa_figure_flag 1
  if (Compound  = "CH3COOH")[
    if ticks mod 3000 = 0 [
      if add_CH3COONa_flag = 2[
        ask mode5_ac_t [
          let meeting-mode5_h_t mode5_h_t in-radius 10
          if count meeting-mode5_h_t > 0 [
            ; 在半径2的范围内相遇时，创建新的turtle
            let turtles-here-mode5_ac_t turtles with [breed = mode5_ac_t]
            let turtles-here-mode5_h_t turtles with [breed = mode5_h_t]
            let turtle_mode5_ac_t one-of turtles-here-mode5_ac_t in-radius 2
            let turtle_mode5_h_t one-of turtles-here-mode5_h_t in-radius 2
            if turtle_mode5_ac_t != nobody and turtle_mode5_h_t != nobody [
              if count mode5_ac_t > 6[
                ask turtle_mode5_ac_t [
                  set breed mode5_hac_t
                  set size 3
                ]
                ; 删除原来的mode4_h_t turtle
                ask turtle_mode5_h_t [
                  die
                ]
              ]
              if count mode5_ac_t = 6[
                set add_CH3COONa_flag 3
              ]
            ]
          ]
        ]
      ]
      if add_CH3COONa_flag = 1[
        let turtle_xys []  ; 创建一个空列表来存储坐标对
        let turtle_mode5_naac_t n-of 5 mode5_naac_t
        ask turtle_mode5_naac_t [
          let xys list xcor ycor  ; 创建一个包含当前乌龟坐标对的列表
          set turtle_xys lput xys turtle_xys  ; 将当前乌龟的坐标对添加到列表中
          set breed mode5_ac_t
          set size 3
        ]
        foreach turtle_xys [
          xy ->
          create-mode5_na_t 1 [
            setxy (item 0 xy) (item 1 xy)  ; 根据坐标对生成乌龟
            set size 3  ; 可根据需要设置乌龟颜色
          ]
        ]
        set add_CH3COONa_flag 2
      ]
      if add_CH3COONa_flag = 0 [
        create-mode5_naac_t 5
        [
          setxy random-xcor random-ycor
          set size 3
        ]
        set add_CH3COONa_flag 1
      ]
    ]
  ]
end 

;;通HCL

to add_hcl
  set add_hcl_figure_flag 1
  if (Compound  = "CH3COOH")[
    if ticks mod 3000 = 0 [
      if add_hcl_flag = 1[
        ask mode5_ac_t [
          let meeting-mode5_h_t mode5_h_t in-radius 10
          if count meeting-mode5_h_t > 0 [
            ; 在半径2的范围内相遇时，创建新的turtle
            let turtles-here-mode5_ac_t turtles with [breed = mode5_ac_t]
            let turtles-here-mode5_h_t turtles with [breed = mode5_h_t]
            let turtle_mode5_ac_t one-of turtles-here-mode5_ac_t in-radius 2
            let turtle_mode5_h_t one-of turtles-here-mode5_h_t in-radius 2
            if turtle_mode5_ac_t != nobody and turtle_mode5_h_t != nobody [
              if count mode5_ac_t > 2[
                ask turtle_mode5_ac_t [
                  set breed mode5_hac_t
                  set size 3
                ]
                ; 删除原来的mode4_h_t turtle
                ask turtle_mode5_h_t [
                  die
                ]
              ]
              if count mode5_ac_t = 2[
                set add_hcl_flag 2
              ]
            ]
          ]
        ]
      ]
      if add_hcl_flag = 0 [
        create-mode5_h_t 5
        [
          setxy random-xcor random-ycor
          set size 2
        ]
        set add_hcl_flag 1
      ]
    ]
  ]
  if (Compound  = "NH3.H2O")[
   if ticks mod 3000 = 0 [
      if add_hcl_flag = 2 [
        let turtle_xys []  ; 创建一个空列表来存储坐标对
        let turtle_mode5_nh3h2o_t n-of 8 mode5_nh3h2o_t
        ask turtle_mode5_nh3h2o_t [
          let xys list xcor ycor  ; 创建一个包含当前乌龟坐标对的列表
          set turtle_xys lput xys turtle_xys  ; 将当前乌龟的坐标对添加到列表中
          set breed mode5_oh_t
          set size 3
        ]
        foreach turtle_xys [
          xy ->
          create-mode5_nh4_t 1 [
            setxy (item 0 xy) (item 1 xy)  ; 根据坐标对生成乌龟
            set size 3  ; 可根据需要设置乌龟颜色
          ]
        ]
        set add_hcl_flag 3
      ]
      if add_hcl_flag = 1[
        let turtle_mode5_oh_t n-of 5 mode5_oh_t
        let turtle_mode5_h_t n-of 5 mode5_h_t
        ask turtle_mode5_oh_t [
          die
        ]
        ask turtle_mode5_h_t [
          die
        ]
        set add_hcl_flag 2
      ]
      if add_hcl_flag = 0 [
        create-mode5_h_t 5
        [
          setxy random-xcor random-ycor
          set size 2
        ]
        set add_hcl_flag 1
      ]
    ]
  ]
end 

;;通NH3

to add_nh3
  set add_nh3_figure_flag 1
  if (Compound  = "NH3.H2O")[
    if ticks mod 3000 = 0 [
      if add_nh3_flag = 1[
        let turtle_xys []  ; 创建一个空列表来存储坐标对
        let turtle_mode5_nh3h2o_t n-of 2 mode5_nh3h2o_t
        ask turtle_mode5_nh3h2o_t [
          let xys list xcor ycor  ; 创建一个包含当前乌龟坐标对的列表
          set turtle_xys lput xys turtle_xys  ; 将当前乌龟的坐标对添加到列表中
          set breed mode5_oh_t
          set size 3
        ]
        foreach turtle_xys [
          xy ->
          create-mode5_nh4_t 1 [
            setxy (item 0 xy) (item 1 xy)  ; 根据坐标对生成乌龟
            set size 3  ; 可根据需要设置乌龟颜色
          ]
        ]
        set add_nh3_flag 2
      ]
      if add_nh3_flag = 0[
        create-mode5_nh3h2o_t 10
        [
          setxy random-xcor random-ycor
          set size 3
        ]
        set add_nh3_flag 1
      ]
    ]
  ]
end 

;;加NaOH

to add_NaOH
  set add_NaOH_figure_flag 1
  if (Compound  = "CH3COOH")[
    if ticks mod 3000 = 0 [
      if add_NaOH_flag = 2 [
        let turtle_xys []  ; 创建一个空列表来存储坐标对
        let turtle_mode5_hac_t n-of 8 mode5_hac_t
        ask turtle_mode5_hac_t [
          let xys list xcor ycor  ; 创建一个包含当前乌龟坐标对的列表
          set turtle_xys lput xys turtle_xys  ; 将当前乌龟的坐标对添加到列表中
          set breed mode5_h_t
          set size 2
        ]
        foreach turtle_xys [
          xy ->
          create-mode5_ac_t 1 [
            setxy (item 0 xy) (item 1 xy)  ; 根据坐标对生成乌龟
            set size 3  ; 可根据需要设置乌龟颜色
          ]
        ]
        set add_NaOH_flag 3
      ]
      if add_NaOH_flag = 1[
        let turtle_mode5_oh_t n-of 5 mode5_oh_t
        let turtle_mode5_h_t n-of 5 mode5_h_t
        ask turtle_mode5_oh_t [
          die
        ]
        ask turtle_mode5_h_t [
          die
        ]
        set add_NaOH_flag 2
      ]
      if add_NaOH_flag = 0 [
        create-mode5_oh_t 5
        [
          setxy random-xcor random-ycor
          set size 3
        ]
        set add_NaOH_flag 1
        stop
      ]
    ]
  ]
  if (Compound  = "NH3.H2O")[
    if ticks mod 3000 = 0 [
      if add_NaOH_flag = 1[
        ask mode5_nh4_t [
          let meeting-mode5_oh_t mode5_oh_t in-radius 10
          if count meeting-mode5_oh_t > 0 [
            ; 在半径2的范围内相遇时，创建新的turtle
            let turtles-here-mode5_nh4_t turtles with [breed = mode5_nh4_t]
            let turtles-here-mode5_oh_t turtles with [breed = mode5_oh_t]
            let turtle_mode5_nh4_t one-of turtles-here-mode5_nh4_t in-radius 2
            let turtle_mode5_oh_t one-of turtles-here-mode5_oh_t in-radius 2
            if turtle_mode5_nh4_t != nobody and turtle_mode5_oh_t != nobody [
              if count mode5_nh4_t > 2[
                ask turtle_mode5_nh4_t [
                  set breed mode5_nh3h2o_t
                  set size 3
                ]
                ; 删除原来的mode4_h_t turtle
                ask turtle_mode5_oh_t [
                  die
                ]
              ]
              if count mode5_nh4_t = 2[
                set add_NaOH_flag 2
              ]
            ]
          ]
        ]
      ]
      if add_NaOH_flag = 0 [
        create-mode5_oh_t 5
        [
          setxy random-xcor random-ycor
          set size 3
        ]
        set add_NaOH_flag 1
      ]
    ]
  ]
end 

;;加NH4Cl

to add_NH4Cl
  set add_NH4Cl_figure_flag 1
  if (Compound  = "NH3.H2O")[
    if ticks mod 3000 = 0 [
      if add_NH4Cl_flag = 2[
        ask mode5_nh4_t [
          let meeting-mode5_oh_t mode5_oh_t in-radius 10
          if count meeting-mode5_oh_t > 0 [
            ; 在半径2的范围内相遇时，创建新的turtle
            let turtles-here-mode5_nh4_t turtles with [breed = mode5_nh4_t]
            let turtles-here-mode5_oh_t turtles with [breed = mode5_oh_t]
            let turtle_mode5_nh4_t one-of turtles-here-mode5_nh4_t in-radius 2
            let turtle_mode5_oh_t one-of turtles-here-mode5_oh_t in-radius 2
            if turtle_mode5_nh4_t != nobody and turtle_mode5_oh_t != nobody [
              if count mode5_nh4_t > 6[
                ask turtle_mode5_nh4_t [
                  set breed mode5_nh3h2o_t
                  set size 3
                ]
                ; 删除原来的mode4_h_t turtle
                ask turtle_mode5_oh_t [
                  die
                ]
              ]
              if count mode5_nh4_t = 6[
                set add_NH4Cl_flag 3
              ]
            ]
          ]
        ]
      ]
      if add_NH4Cl_flag = 1[
        let turtle_xys []  ; 创建一个空列表来存储坐标对
        let turtle_mode5_nh4cl_t n-of 5 mode5_nh4cl_t
        ask turtle_mode5_nh4cl_t [
          let xys list xcor ycor  ; 创建一个包含当前乌龟坐标对的列表
          set turtle_xys lput xys turtle_xys  ; 将当前乌龟的坐标对添加到列表中
          set breed mode5_nh4_t
          set size 3
        ]
        foreach turtle_xys [
          xy ->
          create-mode5_cl_t 1 [
            setxy (item 0 xy) (item 1 xy)  ; 根据坐标对生成乌龟
            set size 3  ; 可根据需要设置乌龟颜色
          ]
        ]
        set add_NH4Cl_flag 2
      ]
      if add_NH4Cl_flag = 0 [
        create-mode5_nh4cl_t 5
        [
          setxy random-xcor random-ycor
          set size 3
        ]
        set add_NH4Cl_flag 1
      ]
    ]
  ]
end