Figure 1: Scheme of Modeling (PbCl2) with GO

Figure 2: Effect of adsorbent dose on the Pb(II)-GO adsorption

Figure 3: Lagergren Pseudo First-Order at 25C

Figure 4: The Pseudo Second-Order Kinetic Models

Figure 5: Elovich at 25C

Figure 6: The intra-particle diffusion rate constant at 25C

Figure 7: The extra-particle diffusion rate constant at 25C

Figure 8: Langmuir adsorption isotherm of Pb(II) ions onto GO surface

Figure 9: Figure 9: Plot of separation factor versus initial concentration of Pb(II) ions. Initial Pb(II) concatenations from 15 tgo 60 mg/L, Time 120 min, pH=4.11, V=10 ml, GO dosage=0.01 g, T=298 K.

Figure 10: Surface Coverage (θ) for Pb(II)-GO Adsorption

Figure 11: Freundlich adsorption isotherm of Pb(II) ions onto the surface of GO

Figure 12: DRK isotherm of Pb(II)-GO

Figure 13: Temkin isotherm of Pb(II)-GO

T (min)

LPFO

PSO

K

K1

qmax

R2

qm

KL

R2

min-1

L.mg-1

L.g-1

298

0.0041454

0.6761

0.664

Type I

6.752194463

0.021118438

0.9917

Table 1: The values of Pseudo-first-order, Pseudo-second-order, Elovich, and intra-particle and extra-particle diffusion models for Pb(II)-GO adsorption

RL

15

20

25

40.7701

46.5944

58.243

0.052527

0.039919

0.032192

0.019989072

0.017534

0.014077

Table 2: The RL values for Pb(II) adsorption onto GO surface

T

Freundlich Constants

Langmuir Constants

Temkin constants

DKR

k

KF

1/n

R2

qm

KL

R2

KT

qm

B

R2

D

qm

E

R2

L.g-1

mg/g

L.g-1

J/mol

mg/g

L/g

J/mol

mg/g

KJ/mol

298

2244514.95

0.3573

0.974

Type I

17.9

0.342

0.9576

5.36

9.789

0.270

0.9096

1.24E-01

32.2

2.01

0.959

Type II

35.1

1.20

0.8033

Type III

39.1

0.952

0.6032

Type IV

45.9

-26.3

0.6032

Table 3: Comparison the adsorption isotherms of Pb(II) ions onto GO

Angle

0

45

90

135

180

225

270

315

Optimization energies values

-1.1482714

-1.204518

-0.9250482

-0.9049993

-1.149146

-1.1974741

-0.925077

-1.1882337

B.E energies values

0.0387999

-0.0174467

0.2620231

0.2820720

0.0379253

-0.0104028

0.2619943

-0.0011624

Table 4: Lowest geometry results optimization plus binding energies in (hatree) of GO and PbCl2 at various angles from 0o to 315o calculated by Gaussian03

The Nearest Atoms

Bonding Distance (A°)

Pb1- Cl2 (ligand)-----H112- O64 (GO)

2.38720

Pb1- Cl2 (ligand)----- C12- H103 (GO)

3.49612

Pb1- Cl2 (ligand)-----O64-H112(GO)

3.01641

Pb1- Cl3 (ligand)----- H103-C18(GO)

2.57783

Pb1- Cl3 (ligand)----- C18- H103 (GO)

3.69499

Pb1- Cl3 (ligand)----- O50=C39 (GO)

3.06989

qqq

Table 5: The Nearest Atoms form between (PbCl2-Graphene oxide) in the Inclusion complex