Abstract
The esterification of acetic acid with -butanol catalysed by NaY zeolite molecular sieve-supported organophosphonic acid has been studied. The effects of the most relevant variables of the process, such as the molar ratio between alcohol and acid, and the amount of catalyst utilised, have been studied to optimize the reaction conditions, and the final conversion achieved could reach 96.55%. Moreover, the kinetics and quantum chemistry of this reaction were also studied, and the relevant values of the activation energy, pre-exponential factor, Mulliken charge distribution, and protonation energy were obtained.
References
1.
Jermy B.R.
, and
Pandurangan A.
(2005 ) J. Mol. Catal. A: Chem. , 237 , 146 .
2.
Larock R.C.
(1989 ) Comprehensive organic transformations , VCH Publishers , New York .
3.
Verhoef J.M.
,
Kooyman J.P.
,
Peters A.J.
, and
van Bekkum H.
(1999 ) Micropor. Mesopor. Mater. , 27 , 365 .
4.
Gui J.
,
Cong X.
,
Liu D.
,
Zhang X.
,
Hu Z.
, and
Sun Z.
(2004 ) Catal. Commun. , 5 , 473 .
5.
Parida K.M.
,
Dash S.S.
, and
Mallick S.
(2005 ) J. Colloid. Interf. Sci. , 290 , 431 .
6.
Corma A.
,
Garcia H.
,
Iborra S.
, and
Primo J.
(1989 ) J. Catal. , 120 , 78 .
7.
Zhang H.B.
,
Zhang B.Z.
, and
Li H.X.
(1992 ) J. Nat. Gas Chem. , 49 .
8.
Shan Q.J.
(2008 ) J. Chem. Ind. Eng. , 29 , 39 .
9.
Dash S.S.
, and
Parida K.M.
(2007 ) J. Mol. Catal. A: Chem. , 266 , 88 .
10.
Jin M.
,
Shang Y.
,
Yang R
,
Jia M.
,
Zhang W.
, and
Wu T.
(2008 ) Catal. Commun. , 10 , 146 .
11.
Ma D.
, and
Gu S.
(1989 ) Petrochem. Technol. , 18 (7 ), 431 .
12.
Zhang Y
,
Ma L.
, and
Yang J.
(2004 ) React. Funct. Polym. , 61 , 101 .
13.
Frisch M.J.
,
Trucks G.W.
,
Schlegel H.B.
2003 ) GAUSSIAN 03 , Gaussian, Inc. , Pittsburgh PA.
14.
Zhang Y
,
Liu Y.
, and
Li Y.
(2008 ) Appl. Catal. A: Gen. , 345 , 73 .
15.
Yin P.
,
Qu R.
,
Zhao G.
,
Xu Q.
,
Tian Y.
, and
Bao C.
(2008 ) J. Appl. Polym. Sci. , 109 , 4054 .
16.
Lee M.J.
,
Wu H.T.
, and
Lin H.M.
(2000 ) bid. Eng. Chem. Res. , 39 , 4094 .
17.
Gangadwala J.
,
Mankar S.
, and
Mahajani S.
(2003 ) hid. Eng. Chem. Res. , 42 , 2146 .
18.
Saha B.
, and
Streat M.
(1999 ) React. Funct. Polym. , 40 , 13 .
19.
Tesser R.
,
Serio M.D.
, and
Guida M.
(2005 ) Ind. Eng. Chem. Res. , 44 , 7978 .
20.
Gangadwala J.
,
Mankar S.
,
Mahajani S.
,
Kienle A.
, and
Stein E.
(2003 ) Ind. Eng. Chem. Res. , 42 , 2146 .
21.
Dash S.S.
, and
Parida K.M.
(2007 ) J. Mol. Catal. A: Chem. , 266 , 88 .
22.
Sert E.
, and
Atalay E.S.
(2010 ) React. Kinet. Mech. Catal. , 99 , 125 .
23.
Aranda D.A.G.
,
Santos R.T.P.
,
Tapanes N.C.O.
,
Ramos A.L.D.
, and
Antunes O.A.C.
(2008 ) Catal. Lett. , 122 , 20 .