particles in a box Everything with a Single Particle
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globals [ box-edge1 box-edge2 leftbox-edge rightbox floor1 floor2 entropy1 ; entropy2 ; temperature R yboltz enthalpy1 ; enthalpy2 ; scale Eafloor initialstate ; particles in initially in state 1 ΔG ΔG0 ΔG0e -ΔG0e ΔS ΔH Kin1 Kin2 K tracer a stateLeft stateRight waitingLeft waitingRight previous-state waitingTimes1to2 waitingTimes2to1 logWaitingTimes1to2 logWaitingTimes2to1 waitingTime ] breed [ particles particle ] breed [ flashes flash ] flashes-own [birthday] particles-own [ mass energy ;; particle info last-collision state ] to setup clear-all set waitingTimes1to2 [] set waitingTimes2to1 [] set logWaitingTimes1to2 [] set logWaitingTimes2to1 [] set-default-shape particles "circle" set-default-shape flashes "plane" set R 1.9858775 / 1000 ;constante de gases en kcal/mol/K ; set entropy1 0.3 set entropy1 1 - entropy2 set enthalpy1 0 ifelse enthalpy1 <= enthalpy2 [set floor1 0 set floor2 enthalpy2 * scale] ; scale 1kcal= scale y coordenate [set floor2 0 set floor1 -1 * scale * enthalpy2] ; scale 1kcal=scale y coordinate set Eafloor max (list floor1 floor2) + Ea * scale ; set initialstate 0.1 set box-edge2 (max-pxcor) set box-edge1 min-pxcor + (entropy1 * max-pxcor * 2) set ΔH enthalpy2 - enthalpy1 set ΔS R * ln (entropy2 / entropy1) ;calculo entropía set ΔG0 ΔH - temperature * ΔS ;calculo Δ G cero teórica make-box set initialstate 1 - avance make-particles update-variables reset-ticks set a 1 end to go ask particles [ bounce ] ask particles [ timeInState ] update-variables update-plots display set a a + 1 if single = true [stop] ; if a > 1 [stop] end to update-variables set ΔG0 ΔH - temperature * ΔS ;calculo Δ G cero teórica set Kin1 stateLeft;count turtles with [state = 1] set Kin2 stateRight; count turtles with [state = 2] set K Kin2 / (Kin1 + 0.1) set ΔG0e (- R * temperature * ln (K + 1E-10)) set -ΔG0e -1 * ΔG0e set ΔG R * temperature * ln (K + 1E-10) + ΔG0 ; set-current-plot "Waiting Time" ; set-plot-pen-mode 1 ; set-histogram-num-bars 10 ; histogram waitingTimes1to2 ;; Waiting time for state 1 → state 2 end to bounce ;; particle procedure ifelse state = 1 [ set yboltz floor1 - scale * ln (random-float 1) * R * temperature if yboltz >= Eafloor [set xcor min-pxcor + random (max-pxcor - min-pxcor)] ] [ set yboltz floor2 - scale * ln (random-float 1) * R * temperature if yboltz >= Eafloor [set xcor min-pxcor + random (max-pxcor - min-pxcor)] ] ifelse yboltz > max-pycor [set ycor max-pycor] [set ycor yboltz] ifelse (xcor >= min-pxcor and xcor < box-edge1) [set state 1 set color green] [set state 2 set color red] end ;; Particle Procedure - Track Waiting Time Before Transitions to timeInState ;; Increment time in the current state ifelse state = 1 [ set stateLeft stateLeft + 1 ] [ set stateRight stateRight + 1 ] ;; Increment waiting time in the current state set waitingTime waitingTime + 1 ;; Check if transition occurs and store waiting time if state != previous-state [ if previous-state = 1 [ set waitingTimes1to2 lput waitingTime waitingTimes1to2 set logWaitingTimes1to2 lput ln waitingTime logWaitingTimes1to2 set waitingTime 0 ;; Reset waiting time for next cycle ] if previous-state = 2 [ set waitingTimes2to1 lput waitingTime waitingTimes2to1 set logWaitingTimes2to1 lput ln waitingTime logWaitingTimes2to1 set waitingTime 0 ;; Reset waiting time for next cycle ] ] ;; Update previous-state for next tick comparison set previous-state state end ;;; ;;; drawing procedures to make-box ; white the part of the box that is inactive ifelse floor1 <= floor2 [ ask patches with [ (pxcor > box-edge1) and (pycor < floor2) ] [ set pcolor white ] ] [ ask patches with [ (pxcor < box-edge1) and (pycor < floor1) ] [ set pcolor white ] ] ; limite superior ask patches with [ pycor > max-pycor - 5 ] [ set pcolor blue ] ; limite inferior ask patches with [ (pycor < floor1 + 5 and pycor > floor1 ) and (pxcor <= box-edge1) ] [ set pcolor yellow ] ask patches with [ (pycor < floor2 + 5 and pycor > floor2) and (pxcor >= box-edge1) ] [ set pcolor yellow ] ; limite izquierdo ask patches with [ (pxcor < min-pxcor + 5) and (pycor >= floor1) ] [ set pcolor yellow ] ; limite derecho ask patches with [ (pxcor > max-pxcor - 5) and (pycor >= floor2) ] [ set pcolor yellow ] ; limite central ask patches with [ (pxcor < box-edge1 + 3 and pxcor > box-edge1 - 3) and (pycor <= Eafloor) ] [ set pcolor yellow ] end ;;; ;; creates initial particles to make-particles create-particles number-of-particles [ set size 15 ifelse random-float 1 < initialstate [ set xcor min-pxcor + random (box-edge1 - min-pxcor) set yboltz floor1 - scale * ln (random-float 1) * R * temperature ifelse yboltz > max-pycor [set ycor max-pycor] [set ycor yboltz] ] [ set xcor box-edge1 + random (box-edge2 - box-edge1) set yboltz floor2 - scale * ln (random-float 1) * R * temperature ifelse yboltz > max-pycor [set ycor max-pycor] [set ycor yboltz] ] ifelse (xcor >= min-pxcor and xcor < box-edge1) [set state 1 set color green] [set state 2 set color red] ;;random-position ] set K count turtles with [state = 2] / (count turtles with [state = 1] + 0.00000000000000000000001) set ΔG0e (- R * temperature * ln (K + 0.0000000000001)) set ΔG R * temperature * ln (K + 0.0000000000001) + ΔG0 end ; Copyright 1997 Uri Wilensky. ; See Info tab for full copyright and license.
There is only one version of this model, created 4 days ago by Luis Mayorga.
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File | Type | Description | Last updated | |
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particles in a box Everything with a Single Particle.png | preview | Preview for 'particles in a box Everything with a Single Particle' | 4 days ago, by Luis Mayorga | Download |
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