Organic Phosphorus Compounds as Inhibitors of Corrosion of Carbon Steel in Circulating Cooling Water: Weight Loss Method and Thermodynamic and Quantum Chemical Studies

Table 2

The charge distribution of the Mulliken atom in the three corrosion inhibitors.

PBTCA		HEDP		ATMP
Atom	Mulliken charge	Atom	Mulliken charge	Atom	Mulliken charge
P1	1.1658	P1	1.1134	C1	−0.2667
C2	−0.2905	O2	−0.5764	N2	−0.4657
C3	−0.1777	O3	−0.5953	P3	1.1046
C4	−0.2663	C4	−0.1195	C4	−0.2575
C5	−0.2588	O5	−0.6431	C5	−0.2861
O6	−0.5877	P6	1.1237	O6	−0.6589
O7	−0.5932	O7	−0.5694	O7	−0.6391
O8	−0.6405	O8	−0.6027	O8	−0.6129
C9	0.6524	O9	−0.6360	O9	−0.6436
O10	−0.5367	O10	−0.5683	O10	−0.6735
O11	−0.4980	C11	−0.3356	P11	1.1320
C12	0.6226	H12	0.3999	O12	−0.6159
O13	−0.5344	H13	0.3958	O13	−0.5825
O14	−0.5040	H14	0.4016	P14	1.1323
C15	0.5876	H15	0.4087	O15	−0.6002
O16	−0.5478	H16	0.3616	O16	−0.5800
O17	−0.4948	H17	0.1451	H17	0.1858
H18	0.1462	H18	0.1447	H18	0.1650
H19	0.1433	H19	0.1517	H19	0.1936
H20	0.1970			H20	0.1751
H21	0.1839			H21	0.1911
H22	0.1469			H22	0.1927
H23	0.1654			H23	0.4111
H24	0.3972			H24	0.3915
H25	0.4024			H25	0.4062
H26	0.3761			H26	0.3995
H27	0.3741			H27	0.4033
H28	0.3690			H28	0.3987