{UTF-8}
********************************************************
	.ammoniak lechatelier
********************************************************~
		Simulation: Peter Bützer
	|

Dim=
	1*1
	~	1/K
	~		|

R=
	8.31441*1
	~	J/K
	~	Allgemeine Gaskonstante
	|

Ea=
	150000
	~	J [80000,239000,10000]
	~	Aktivierungsenergie: ca. 90000 J/mol mit sehr gutem Katalysator, ohne ca. \
		239000 J/mol
	|

K=
	134408*EXP(-0.021*Temperatur*Dim)*7e-007*p^(2.0461)/(2*0.00798375)
	~	1/(mol*mol) [0,10]
	~	Gleichgewichtskonstanten aus Trendlinie von realen Daten, Referenz-Wert \
		bei 773 K/100 bar
	|

kv=
	340000*EXP(-Ea/(R*Temperatur))
	~	1/(Second*mol*mol*mol) [1e-006,0.1,1e-006]
	~	Reaktionsgeschwindigkeitskonstante: Beeinflusst durch den Katalysator; mit \
		Katalysator ca. 0.03, ohne etwa 8000 mal langsamer
	|

RGs=
	IF THEN ELSE(N2*H2<=0, 0, (-kv*H2*H2*H2*N2+kr*NH3*NH3))
	~	mol/Second [0,?]
	~		|

ke=
	0
	~	mol/Second [0,0.01,0.001]
	~	Entfernen vom Produkt Ammoniak
	|

E=
	IF THEN ELSE(NH3<=0.01, 0, ke )
	~	mol/Second [0,0.01]
	~	Entfernen von NH3
	|

Temperatur=
	773
	~	K [500,900]
	~	Aktuelle Temperatur; Erste Apparatur von Haber: 500°C = 773 K, technisch \
		heute 720K
	|

Kb=
	NH3*NH3/(H2*H2*H2*N2)
	~	1/(mol*mol)
	~	Berechnete Gleichgewichtskonstante, wenn der Druck verändert wird
	|

p=
	200
	~	Dmnl [2,1000]
	~	Relativer Druck als Faktor. Druck; mit dem Druck werden die Anzahl Mole \
		pro Volumen verändert, doppelter Druck heisst doppelte Anzahl Mole im \
		gleichen Volumen, technisch ca. 200 bar (heute ca. 150-200 bar).
	|

H2= INTEG (
	RGw+ZH,
		3)
	~	mol [0,?]
	~		|

ZH=
	0
	~	mol/Second [0,0.01,0.001]
	~	Zufuhr von H2: Wasserstoff
	|

N2= INTEG (
	RGs+ZN,
		1)
	~	mol [0,?]
	~		|

NH3= INTEG (
	-E-RGs,
		2)
	~	mol [0,?]
	~		|

ZN=
	0
	~	mol/Second [0,0.01,0.001]
	~	Zufuhr von N2: Stickstoff
	|

RGw=
	RGs*3
	~	mol/Second [0,?]
	~		|

kr=
	kv/K
	~	1/(Second*mol) [0,?]
	~	Reaktionsgeschwindigkeitskonstante der Rückreaktion: K=kv/kr
	|

********************************************************
	.Control
********************************************************~
		Simulation Control Parameters
	|

FINAL TIME  = 300
	~	Second
	~	The final time for the simulation.
	|

INITIAL TIME  = 0
	~	Second
	~	The initial time for the simulation.
	|

SAVEPER  = 
        TIME STEP
	~	Second [0,?]
	~	The frequency with which output is stored.
	|

TIME STEP  = 0.1
	~	Second [0,?]
	~	The time step for the simulation.
	|

\\\---/// Sketch information - do not modify anything except names
V300  Do not put anything below this section - it will be ignored
*View 1
$192-192-192,0,Helvetica|12||0-0-0|0-0-0|0-0-255|-1--1--1|-1--1--1|96,96,100,0
10,1,H2,317,86,32,16,3,3,0,4,0,0,0,0,0-0-0,255-0-0,|12||0-0-0
10,2,N2,316,164,32,16,3,3,0,4,0,0,0,0,0-0-0,128-192-0,|12||0-0-0
10,3,NH3,471,164,32,16,3,3,0,4,0,0,0,0,0-0-0,255-255-0,|12||0-0-0
1,4,5,1,68,0,0,22,2,64,0,-1--1--1,|12||0-0-0,1|(368,87)|
11,5,412,393,87,5,6,34,3,0,0,1,0,0,0
10,6,RGw,393,104,20,10,40,3,0,0,-1,0,0,0
1,7,9,3,4,0,0,22,0,0,0,-1--1--1,,1|(418,164)|
1,8,9,2,68,0,0,22,2,0,0,-1--1--1,|12||0-0-0,1|(368,164)|
11,9,508,393,164,5,6,34,3,0,0,1,0,0,0
10,10,RGs,393,180,18,10,40,3,0,0,-1,0,0,0
1,11,2,9,1,0,0,0,0,64,0,-1--1--1,,1|(364,130)|
10,12,kv,334,225,10,10,8,3,0,0,0,0,0,0
10,13,kr,455,227,9,10,8,3,0,0,0,0,0,0
1,14,12,9,1,0,0,0,0,64,0,-1--1--1,,1|(362,208)|
1,15,13,9,1,0,0,0,0,64,0,-1--1--1,,1|(418,197)|
1,16,1,9,1,0,0,0,0,64,0,-1--1--1,,1|(374,116)|
10,17,K,381,304,7,10,8,3,0,0,0,0,0,0
1,18,12,13,1,0,0,0,0,64,0,-1--1--1,,1|(389,225)|
1,19,17,13,1,0,0,0,0,64,0,-1--1--1,,1|(429,282)|
12,20,48,480,88,10,8,0,3,0,0,-1,0,0,0
1,21,5,20,4,0,0,22,0,0,0,-1--1--1,,1|(434,87)|
1,22,9,5,1,0,0,0,0,64,0,-1--1--1,,1|(400,129)|
1,23,3,9,1,0,0,0,0,64,0,-1--1--1,,1|(442,130)|
12,24,0,812,507,227,154,3,188,0,0,1,0,0,0
Konzentrationen
12,25,48,584,165,10,8,0,3,0,0,-1,0,0,0
1,26,28,25,4,0,0,22,0,0,0,-1--1--1,,1|(559,165)|
1,27,28,3,100,0,0,22,0,0,0,-1--1--1,,1|(518,165)|
11,28,48,539,165,5,6,34,3,0,0,1,0,0,0
10,29,E,539,182,7,10,40,3,0,0,-1,0,0,0
12,30,48,203,87,10,8,0,3,0,0,-1,0,0,0
1,31,33,1,4,0,0,22,0,0,0,-1--1--1,,1|(269,86)|
1,32,33,30,100,0,0,22,0,0,0,-1--1--1,,1|(228,86)|
11,33,48,248,86,5,6,34,3,0,0,1,0,0,0
10,34,ZH,248,103,12,10,40,3,0,0,-1,0,0,0
12,35,48,201,160,10,8,0,3,0,0,-1,0,0,0
1,36,38,2,4,0,0,22,0,0,0,-1--1--1,,1|(266,160)|
1,37,38,35,100,0,0,22,0,0,0,-1--1--1,,1|(224,160)|
11,38,48,243,160,5,6,34,3,0,0,1,0,0,0
10,39,ZN,243,176,12,10,40,3,0,0,-1,0,0,0
10,40,p,291,306,6,10,8,3,0,0,0,0,0,0
10,41,Kb,499,282,11,10,8,3,0,0,0,0,0,0
1,42,1,41,1,0,0,0,0,64,0,-1--1--1,,1|(450,199)|
1,43,2,41,1,0,0,0,0,64,0,-1--1--1,,1|(437,272)|
1,44,3,41,1,0,0,0,0,64,0,-1--1--1,,1|(508,217)|
12,45,0,303,509,241,155,3,188,0,0,1,0,0,0
Gleichgewicht
10,46,Temperatur,199,272,42,10,8,3,0,0,0,0,0,0
1,47,46,17,1,0,0,0,0,64,0,-1--1--1,,1|(308,268)|
10,48,ke,498,119,11,10,8,3,0,0,0,0,0,0
1,49,48,28,1,0,0,0,0,64,0,-1--1--1,,1|(533,134)|
1,50,3,28,1,0,0,0,0,64,0,-1--1--1,,1|(516,140)|
1,51,40,17,1,0,0,0,0,64,0,-1--1--1,,1|(327,299)|
10,52,Ea,216,214,12,10,8,3,0,0,0,0,0,0
1,53,52,12,1,0,0,0,0,64,0,-1--1--1,,1|(266,214)|
1,54,46,12,1,0,0,0,0,64,0,-1--1--1,,1|(299,239)|
10,55,R,231,315,11,13,8,131,0,0,0,0,0,0
1,56,55,12,1,0,0,0,0,64,0,-1--1--1,,1|(317,250)|
10,57,Dim,459,329,17,10,8,3,0,0,0,0,0,0
1,58,57,17,1,0,0,0,0,64,0,-1--1--1,,1|(424,310)|
///---\\\
:GRAPH Konzentrationen
:TITLE Konzentrationen
:X-AXIS Time
:X-DIV 10
:SCALE
:VAR H2
:LINE-WIDTH 2
:VAR N2
:LINE-WIDTH 2
:VAR NH3
:LINE-WIDTH 2

:GRAPH Gleichgewicht
:TITLE Gleichgewichtskonstante
:X-AXIS Time
:SCALE
:VAR Kb
:LINE-WIDTH 2
:L<%^E!@
1:Current.vdf
9:Current
23:0
15:0,0,0,1,0,0
19:100,0
27:2,
34:0,
4:Time
5:p
24:0
25:300.009
26:300.009