A Simulation Study for Trimetallic Nanosized Alloy (Ni, Cu, and Ag) in Hydrogenation of Organic Compounds: A Case Study of “Nitrophenols”

Table 3

A comparison between real and calculated results of some random samples combined with % error.

Catalyst (5 wt% loading on alumina)	Time to reach 100% conversion (sec)
	PNP			MNP			ONP
	Real	Calculated	% error	Real	Calculated	% error	Real	Calculated	% error
Ni	505	505.1	0.02	149	148.7	0.20	80	79.86	0.18
1Ni:1Cu	426	425.5	0.12	67	67.27	0.40	125	125.3	0.24
2Ni:1Cu	145	144.9	0.07	23	22.9	0.43	43	42.66	0.79
1Ni:2Cu	669	668.3	0.10	106	105.7	0.28	197	196.8	0.10
1Ni:1Ag	403	403.1	0.02	64	63.72	0.44	119	118.7	0.25
1Ni:2Ag	603	603.3	0.05	96	95.39	0.64	178	177.7	0.17
2Ni:1Ag	136	135.7	0.22	22	21.45	2.50	40	39.95	0.12
1Ni:1Cu:1Ag	275	274.7	0.11	44	43.42	1.32	81	80.88	0.15
1Ni:2Cu:1Ag	300	299.1	0.30	47	47.29	0.62	89	88.08	1.03
1Ni:1Cu:2Ag	327	327.2	0.06	52	51.73	0.52	96	96.35	0.36
2Ni:1Cu:1Ag	138	137.3	0.51	22	21.71	1.32	41	40.43	1.39
2Ni:1Cu:2Ag	320	319.6	0.12	52	50.53	2.83	95	94.11	0.94
2Ni:2Cu:1Ag	179	178.3	0.39	29	28.19	2.79	53	52.51	0.92
4Ni:1Cu:2Ag	140	138.2	1.29	23	21.84	5.04	42	40.68	3.14
1Ni:2Cu:3Ag	1128	1122	0.53	180	177.3	1.50	333	330.3	0.81
3Ni:1Cu:1Ni	104	105	0.96	18	16.6	7.78	32	30.92	3.37
1Ni:3Cu:2Ag	718	716.8	0.17	115	113.3	1.48	213	211.1	0.89
2Ni:1Cu:2Ag	322	319.6	0.75	52	50.53	2.83	96	94.11	1.97
Average error			0.32			1.83			0.94