```
```

```
```
Bounds:
const = (19.849417219261177, 37.63022921697883)
preexp = (0, 150) , exp = (0, inf) , exploc = (0, 0.5)
prepowa = (0, 50) , powa = (1, 20)
prepowr = (-50, 0) , powr = (1, 20)
Minimizing routine number 1
Initial guess:
const = 28.739823218120005
preexp = 0.0 , exp = 0.0 , exploc = 0.0
prepowa = 0.0 , powa = 1.0
prepowr = 0.0 , powr = 1.0
Optimization terminated successfully. (Exit mode 0)
Current function value: 0.14458327410306143
Iterations: 81
Function evaluations: 818
Gradient evaluations: 81
Minimizing routine number 2
Initial guess:
const = 14.369911609060003
preexp = 0.048145386979996374 , exp = 0.0 , exploc = 0.0
prepowa = 0.0 , powa = 1.0
prepowr = -8.554071327020004 , powr = 1.0
Optimization terminated successfully. (Exit mode 0)
Current function value: 0.1445832720275171
Iterations: 94
Function evaluations: 947
Gradient evaluations: 94
Minimizing routine number 3
Initial guess:
const = 28.739823218120005
preexp = 0.07221808046999456 , exp = 10.0 , exploc = 0.1
prepowa = 0.01 , powa = 3.0
prepowr = 0.0 , powr = 1.0
Optimization terminated successfully. (Exit mode 0)
Current function value: 0.14458327603193163
Iterations: 84
Function evaluations: 845
Gradient evaluations: 84
Minimizing routine number 4
Initial guess:
const = 28.739823218120005
preexp = 0.0 , exp = 0.0 , exploc = 0.1
prepowa = 0.0 , powa = 3.0
prepowr = -0.01 , powr = 3.0
Optimization terminated successfully. (Exit mode 0)
Current function value: 0.1445832731851912
Iterations: 120
Function evaluations: 1212
Gradient evaluations: 120
Final best fit 0.1445832731851912
The initial enthalpy of adsorption is:
E = 28.54
The constant contribution is
19.85
The exponential contribution is
8.71 * exp(1.51E+01 * n) with the limit at 0.41
The guest-guest attractive contribution is
48 * n^2.6
The guest-guest repulsive contribution is
-50 * n^5.5

Bounds:
const = (23.797607891739087, 32.54769036367995)
preexp = (0, 150) , exp = (0, inf) , exploc = (0, 0.5)
prepowa = (0, 50) , powa = (1, 20)
prepowr = (-50, 0) , powr = (1, 20)
Minimizing routine number 1
Initial guess:
const = 28.17264912770952
preexp = 0.0 , exp = 0.0 , exploc = 0.0
prepowa = 0.0 , powa = 1.0
prepowr = 0.0 , powr = 1.0
Optimization terminated successfully. (Exit mode 0)
Current function value: 0.09541800223390323
Iterations: 9
Function evaluations: 90
Gradient evaluations: 9
Minimizing routine number 2
Initial guess:
const = 14.08632456385476
preexp = 6.557036324590477 , exp = 0.0 , exploc = 0.0
prepowa = 2.9277314033904815 , powa = 1.0
prepowr = 0.0 , powr = 1.0
Optimization terminated successfully. (Exit mode 0)
Current function value: 0.007235461270055401
Iterations: 74
Function evaluations: 743
Gradient evaluations: 74
Minimizing routine number 3
Initial guess:
const = 28.17264912770952
preexp = 9.835554486885716 , exp = 10.0 , exploc = 0.1
prepowa = 0.01 , powa = 3.0
prepowr = 0.0 , powr = 1.0
Optimization terminated successfully. (Exit mode 0)
Current function value: 0.00723546030619833
Iterations: 62
Function evaluations: 620
Gradient evaluations: 62
Minimizing routine number 4
Initial guess:
const = 28.17264912770952
preexp = 0.0 , exp = 0.0 , exploc = 0.1
prepowa = 0.0 , powa = 3.0
prepowr = -0.01 , powr = 3.0
Optimization terminated successfully. (Exit mode 0)
Current function value: 0.007334793821042706
Iterations: 62
Function evaluations: 621
Gradient evaluations: 62
Final best fit 0.007334793821042706
The initial enthalpy of adsorption is:
E = 37.12
The constant contribution is
26.53
The exponential contribution is
21.18 * exp(1.23E+01 * n) with the limit at 0.00
The guest-guest attractive contribution is
50 * n^1.8e+01
The guest-guest repulsive contribution is
-46 * n^1.8e+01