化学平衡

; 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). Chemical Equilibrium. School of Chemistry and Chemical Engineering, Shaanxi Normal University.

breed [mode7_no2_t  mode7_no2]
breed [mode7_n2o4_t mode7_n2o4]
breed [mode7_square_t mode7_square]
breed [mode7_he_t mode7_he]

globals[
  float_y
  old_float_y
  count_no2
  count_no2_new
  count_n2o4
  figure_x
  figure_one_flag
  figure_Up_T_flag
  figure_Down_T_flag
  figure_add_P_flag
  figure_delete_P_flag
  figure_add_V_flag
  figure_add_in_flag
  figure_add_cat_flag
  figure_c_actant_flag
  figure_c_resultant_flag

  temp_ticks
  Q
  K
  V
  SL_1
  SL_2
]

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 mode7_no2_t  "no2"
  set-default-shape mode7_n2o4_t   "n2o4"
  set-default-shape mode7_square_t  "square"
  set-default-shape mode7_he_t "he"

  ;;初始化活塞位置
  set float_y 0
  set old_float_y 0
  create_float

  ;;初始化turtle
  create-mode7_no2_t 100[
    setxy random-xcor random((min-pycor + 2) - (float_y - 2)) + (float_y - 2)
    set size 2
  ]

  set K 0.885
  set V 100
  set count_no2 count mode7_no2_t
  set SL_1 0
  set SL_2 0
  set figure_one_flag 0
  set figure_Up_T_flag 0
  set figure_x 0
  reset-ticks
end 

to go
  if ticks mod 5000 = 0[
    turtles_action
    reactivity
  ]
  change_float_set
  set count_no2 count mode7_no2_t
  set count_n2o4 count mode7_n2o4_t

  update_figure

  tick
end 

to update_figure
  if ticks mod 200 = 0[
    if figure_one_flag = 0[
      ifelse ticks <= 810000 [
        set SL_2 ((sqrt ticks) / 18)
        set SL_1 (100 - SL_2)
      ]
      [set figure_one_flag 1]
    ]
    ;;升高温度按键按下
    if figure_Up_T_flag = 1[
      ifelse figure_x < 2500[
        set SL_1 ((sqrt figure_x)  + 60)
        set SL_2 (220 - SL_1)
        set figure_x (figure_x + 1)
      ][
        set figure_Up_T_flag 0
        if temp_ticks = 0[
          set temp_ticks ticks
        ]
      ]
    ]
    ;;降低温度按键按下
    if figure_Down_T_flag = 1[
      ifelse figure_x < 2500[
        set SL_2 ((sqrt figure_x) * 0.3 + 10)
        set SL_1 (50 - SL_2)
        set figure_x (figure_x + 1)
      ][
        set figure_Down_T_flag 0
        if temp_ticks = 0[
          set temp_ticks ticks
        ]
      ]
    ]
    ;;增大压强按键按下
    if figure_add_P_flag = 1[
      ifelse figure_x < 2500[
        set SL_2 ((sqrt figure_x) + 60)
        set SL_1 (220 - SL_2)
        set figure_x (figure_x + 1)
      ][
        set figure_add_P_flag 0
        if temp_ticks = 0[
          set temp_ticks ticks
        ]
      ]
    ]
    ;;减少压强按键按下
    if figure_delete_P_flag = 1[
      ifelse figure_x < 2500[
        set SL_1 ((sqrt figure_x) * 0.3 + 10)
        set SL_2 (50 - SL_1)
        set figure_x (figure_x + 1)
      ][
        set figure_delete_P_flag 0
        if temp_ticks = 0[
          set temp_ticks ticks
        ]
      ]
    ]
    ;;恒压充入按键按下
    if figure_add_in_flag = 1[
      ifelse figure_x < 2500[
        set SL_1 ((sqrt figure_x) * 0.3 + 10)
        set SL_2 (50 - SL_1)
        set figure_x (figure_x + 1)
      ][
        set figure_add_in_flag 0
        if temp_ticks = 0[
          set temp_ticks ticks
        ]
      ]
    ]
    ;;figure_c_actant_flag 增大反应物浓度
    if figure_c_actant_flag = 1[
      ifelse figure_x < 2500[
        set SL_2 ((sqrt figure_x)  + 50)
        set SL_1 (200 - SL_2)
        set figure_x (figure_x + 1)
      ][
        set figure_c_actant_flag 0
        if temp_ticks = 0[
          set temp_ticks ticks
        ]
      ]
    ]
    ;;figure_c_actant_flag 减小反应物浓度
    if figure_c_actant_flag = 2[
      ifelse figure_x < 2500[
        set SL_1 ((sqrt figure_x) * 0.3 + 20)
        set SL_2 (70 - SL_1)
        set figure_x (figure_x + 1)
      ][
        set figure_c_actant_flag 0
        if temp_ticks = 0[
          set temp_ticks ticks
        ]
      ]
    ]
    ;;figure_c_actant_flag 增大生成物浓度
    if figure_c_resultant_flag = 1[
      ifelse figure_x < 2500[
        set SL_1 ((sqrt figure_x)  + 50)
        set SL_2 (200 - SL_1)
        set figure_x (figure_x + 1)
      ][
        set figure_c_resultant_flag 0
        if temp_ticks = 0[
          set temp_ticks ticks
        ]
      ]
    ]
    ;;figure_c_actant_flag 减小生成物浓度
    if figure_c_resultant_flag = 2[
      ifelse figure_x < 2500[
        set SL_2 ((sqrt figure_x) * 0.3 + 20)
        set SL_1 (70 - SL_2)
        set figure_x (figure_x + 1)
      ][
        set figure_c_resultant_flag 0
        if temp_ticks = 0[
          set temp_ticks ticks
        ]
      ]
    ]
  ]
end 

;;turtle不规则移动

to turtles_action
  ask mode7_no2_t [
    ifelse (ycor >= (min-pycor + 2)) and (ycor <= float_y - 2) [
          set heading random 360
     ][
      ;;碰下面
      if (ycor >=　(float_y - 2))[
        set heading 180
        ]
      ;;碰上面
      if (ycor <=　(min-pycor + 2))[
        set heading 0
        ]
    ]
    fd 1
  ]
  ask mode7_n2o4_t [
    ifelse (ycor >= (min-pycor + 2)) and (ycor <= float_y - 2) [
          set heading random 360
     ][
      ;;碰下面
      if (ycor >=　(float_y - 2))[
        set heading 180
        ]
      ;;碰上面
      if (ycor <=　(min-pycor + 2))[
        set heading 0
        ]
    ]
    fd 1
  ]
  ask mode7_he_t[
    ifelse (ycor >= (min-pycor + 2)) and (ycor <= float_y - 2) [
          set heading random 360
     ][
      ;;碰下面
      if (ycor >=　(float_y - 2))[
        set heading 180
        ]
      ;;碰上面
      if (ycor <=　(min-pycor + 2))[
        set heading 0
        ]
    ]
    fd 1
  ]
end 

;;创建盖子

to create_float
  let result []
  let current-value min-pxcor
  while [current-value <= max-pxcor] [
    create-mode7_square_t 1 [
      setxy current-value  float_y ; 根据坐标对生成乌龟
      set size 1.3  ; 可根据需要设置乌龟颜色
    ]
    set current-value current-value + 1
  ]
  create-mode7_square_t 1 [
    setxy 0  (float_y + 1) ; 根据坐标对生成乌龟
    set size 1.3  ; 可根据需要设置乌龟颜色
  ]
  create-mode7_square_t 1 [
    setxy 1  (float_y + 1) ; 根据坐标对生成乌龟
    set size 1.3  ; 可根据需要设置乌龟颜色
  ]
  create-mode7_square_t 1 [
    setxy -1  (float_y + 1) ; 根据坐标对生成乌龟
    set size 1.3  ; 可根据需要设置乌龟颜色
  ]
end 

;;改变盖子的位置

to change_float_set
  if ticks mod 10000 = 0[
    if old_float_y < float_y and float_y <= (max-pycor - 1)[
      ask mode7_square_t[
        set heading 360   ; 设置朝向为正上方
        forward 1        ; 向前移动一格
      ]
      set old_float_y (old_float_y + 1)
    ]
    if old_float_y > float_y and float_y > min-pycor[
      ask mode7_square_t[
        set heading 180   ; 设置朝向为正上方
        forward 1        ; 向前移动一格
      ]
      set old_float_y (old_float_y - 1 )
    ]
  ]
end 

;;n2o4 和 no2相互反应

to reactivity
  let create_number 0

  set Q ((count mode7_n2o4_t / V) / ((count mode7_no2_t / V) ^ 2) )
  if Q < (K - 0.03) [
    ask patches [
      let nearby-turtles_count count turtles in-radius 1
      let nearby-turtles turtles-here
      let to_n2o4_flag 0
      let to_no2_flag 0
      if nearby-turtles_count >= 2 [
        if random-float 1.0 < 0.6 [
          ask nearby-turtles[
            if breed = mode7_no2_t[
              set to_n2o4_flag (to_n2o4_flag + 1)
            ]
            if breed = mode7_n2o4_t[
              set to_no2_flag (to_no2_flag + 1)
            ]
          ]
          if to_n2o4_flag >= 2[
            if random-float 1.0 < 0.6 [
              let first_mode7_no2_t one-of turtles in-radius 1 with [breed = mode7_no2_t]
              ask first_mode7_no2_t [
                set breed mode7_n2o4_t
                set size 2
              ]
              let second_mode7_no2_t one-of turtles in-radius 1 with [breed = mode7_no2_t]
              ask second_mode7_no2_t[
                die
              ]
            ]
          ]
          if to_no2_flag >= 2[
            if random-float 1.0 < 0.01 [
              let first_mode7_n2o4_t one-of turtles in-radius 1 with [breed = mode7_n2o4_t]
              ask first_mode7_n2o4_t [
                set breed mode7_no2_t
                set size 2
              ]
              let second_mode7_n2o4_t one-of turtles in-radius 1 with [breed = mode7_n2o4_t]
              ask second_mode7_n2o4_t[
                set breed mode7_no2_t
                set size 2
              ]
              set create_number (create_number + 2)
            ]
          ]
           stop
        ]
      ]
    ]
    if create_number != 0 [
      create-mode7_no2_t create_number[
        setxy random-xcor random((min-pycor + 2) - (float_y - 2)) + (float_y - 2)
        set size 2
      ]
      set create_number 0
    ]
  ]

  if  Q > (K - 0.03) and Q < (K + 0.03)[
    ask patches [
      let nearby-turtles_count count turtles in-radius 1
      let nearby-turtles turtles-here
      let to_n2o4_flag 0
      let to_no2_flag 0
      if nearby-turtles_count >= 2 [
        if random-float 1.0 < 0.1 [
          ask nearby-turtles[
            if breed = mode7_no2_t[
              set to_n2o4_flag (to_n2o4_flag + 1)
            ]
            if breed = mode7_n2o4_t[
              set to_no2_flag (to_no2_flag + 1)
            ]
          ]
          if to_n2o4_flag >= 2[
            let first_mode7_no2_t one-of turtles in-radius 1 with [breed = mode7_no2_t]
            ask first_mode7_no2_t [
              set breed mode7_n2o4_t
              set size 2
            ]
            let second_mode7_no2_t one-of turtles in-radius 1 with [breed = mode7_no2_t]
            ask second_mode7_no2_t[
              die
            ]
          ]
          if to_no2_flag >= 2[
            let first_mode7_n2o4_t one-of turtles in-radius 1 with [breed = mode7_n2o4_t]
            ask first_mode7_n2o4_t [
              set breed mode7_no2_t
              set size 2
            ]
            let second_mode7_n2o4_t one-of turtles in-radius 1 with [breed = mode7_n2o4_t]
            ask second_mode7_n2o4_t[
              set breed mode7_no2_t
              set size 2
            ]
            set create_number (create_number + 2)
          ]
          stop
        ]
      ]
    ]
    if create_number != 0 [
      create-mode7_no2_t create_number[
        setxy random-xcor random((min-pycor + 2) - (old_float_y - 2)) + (old_float_y - 2)
        set size 2
      ]
      set create_number 0
    ]
  ]

  if Q > (K + 0.03)  [
    let x 0
    let y 0
    ask patches [
      let nearby-turtles_count count turtles in-radius 1
      let nearby-turtles turtles-here
      let to_n2o4_flag 0
      let to_no2_flag 0
      if nearby-turtles_count >= 2 [
        if random-float 1.0 < 0.6 [
          ask nearby-turtles[
            if breed = mode7_no2_t[
              set to_n2o4_flag (to_n2o4_flag + 1)
            ]
            if breed = mode7_n2o4_t[
              set to_no2_flag (to_no2_flag + 1)
            ]
          ]
          if to_n2o4_flag >= 2[
            if random-float 1.0 < 0.01 [
              let first_mode7_no2_t one-of turtles in-radius 1 with [breed = mode7_no2_t]
              ask first_mode7_no2_t [
                set breed mode7_n2o4_t
                set size 2
              ]
              let second_mode7_no2_t one-of turtles in-radius 1 with [breed = mode7_no2_t]
              ask second_mode7_no2_t[
                die
              ]
            ]
          ]
          if to_no2_flag >= 2[
            if random-float 1.0 < 0.6 [
              let first_mode7_n2o4_t one-of turtles in-radius 1 with [breed = mode7_n2o4_t]
              ask first_mode7_n2o4_t [
                set x xcor
                set y ycor
                set breed mode7_no2_t
                set size 2
              ]
              let second_mode7_n2o4_t one-of turtles in-radius 1 with [breed = mode7_n2o4_t]
              ask second_mode7_n2o4_t[
                set breed mode7_no2_t
                set size 2
              ]
              set create_number (create_number + 2)
            ]
          ]
           stop
        ]
      ]
    ]
    if create_number != 0 [
      create-mode7_no2_t create_number[
        setxy x y
        set size 2
      ]
      set create_number 0
    ]
  ]

  if figure_one_flag = 1[

  ]
end 

;to V_1
;  if ticks mod 500 = 0[
;    set count_no2_new count mode7_no2_t
;    let derta count_no2_new - count_no2
;    set SL_1 ((derta / 500) / 2 )
;    set count_no2 count_no2_new
;  ]
;end

;;上升温度按键

to up_T
end 

;;降低温度按键

to down_T
end 

;;恒容充入按键

to add_V
  set figure_add_V_flag 1
  set temp_ticks ticks
  create-mode7_he_t 50[
    setxy random-xcor random((min-pycor + 2) - (float_y - 2)) + (float_y - 2)
    set size 2
  ]
end 

;;恒压充入按键

to add_P
  set figure_add_in_flag 1
   create-mode7_he_t 50[
    setxy random-xcor random((min-pycor + 2) - (float_y - 2)) + (float_y - 2)
    set size 2
  ]
  set float_y 20
  set V 150
end 

;;执行按键

to c_actant_action
  if c_actant > 0 [
    set figure_c_actant_flag 1
    create-mode7_no2_t c_actant[
      setxy random-xcor random((min-pycor + 2) - (float_y - 2)) + (float_y - 2)
      set size 2
    ]
  ]
  if c_actant < 0 [
    set figure_c_actant_flag 2
    let turtle_mode7_no2_t n-of (c_actant * -1) mode7_no2_t
    ask turtle_mode7_no2_t [
      die
    ]
  ]
end 

to c_resultant_action
  if c_resultant > 0 [
    set figure_c_resultant_flag 1
    create-mode7_n2o4_t c_resultant[
      setxy random-xcor random((min-pycor + 2) - (float_y - 2)) + (float_y - 2)
      set size 2
    ]
  ]
  if c_resultant < 0 [
    set figure_c_resultant_flag 2
    let turtle_mode7_n2o4_t n-of (c_resultant * -1) mode7_n2o4_t
    ask turtle_mode7_n2o4_t [
      die
    ]
  ]
end 

to add_cat
 set figure_add_cat_flag 1
 set SL_1 70
 set SL_2 70
 set temp_ticks ticks
end