Edwards - NMR Presentation

Process NMR Associates
High field and Compact Low Field 1H and 13C NMR Applications
for Petroleum and Refinery Stream Analysis, Process Control, and
Reaction Monitoring
Presented By
John Edwards, Ph.D.
Process NMR Associates, LLC
Danbury, Connecticut
May 17, 2013
Petrobras Reseach Center, Rio de Janeiro

TTC Labs, Inc.
Process Engineering Excellence
TopNIR Systems
250+ Analytical NMR Customers
Analytical
Services
And
Consulting

Superconducting NMR Systems

High Resolution FT-NMR – Online / in Process
First Generation NMR – 1998
Elbit-ATI/Foxboro NMR Second Generation NMR – 2003
Qualion

Lab version On-Line version
New magnet design – 30mm bore size
• The amount of magnetic pieces that assemble the magnet reduced from 34 to 10. Reduction in
Mechanical Complexity
• Bore size of the magnet was increased to 30 mm - improved temperature susceptibility
• Improved temperature and shim stability.
New Digital Spectrometer Design - reduces footprint, improves signal processing capabilities
Probe - Improved Probe Q for Higher Sensitivity.
Software – Windows 7 – Improved Chemometric Capabilities
Third Generation NMR – Aspect AI NMR System

NMR Sample System and Placement

NMR Lock - External 7Li Lock @ 22.5 MHz Shim DACs Built into the Magnet Enclosure
Matrix Shimming Performed
by Optimizing FID RMS

p p m1234567
CH3
CH3
CH3
O
OH
A
B
C
D E F
G
H
A
F
B
CG
H
D E
PEG OH
PEG
p p m4 06 08 01 0 01 2 01 4 01 6 0
CH3
CH3
CH3
O
OH
A
B
C
D E F
G
H
I J
H
I
J
D
E
F
A
B
G
C
PEG
CDCl3
FT-13C FT-1H
300 MHz
A
F
B
C
G
H
D E
PEG OH
PEG
58 MHz

Bio Oils and Hydrotreated Biomass Pyrolysis Products
-1.5-1.0-0.50.00.51.01.52.02.53.03.54.04.55.05.56.06.57.07.58.08.59.09.510.010.511.011.512.0
f1 (p pm )
Kior-0 01 -H
Bio-Oil V1 20 91 3- 04 KH D T Liq.Fr ac._D O_ Lo w C on v
1 H N MR in DM SO
JCE-P NA-Merc3 00
60 MHz
300 MHz
Labile OH
Groups
and
Aldehydes
Water
and
Residual
Alcohol/Ether
Aromatics
Olefin
alpha
Protons
Aliphatic
CH2/CH3
TMS
-1.5-1.0-0.50.00.51.01.52.02.53.03.54.04.55.05.56.06.57.07.58.08.59.09.510.010.511.011.512.0
f1 (ppm)
Kior-004-H_D2O
Sample 1 Bio-Oil
1H NMR in DMSO+D2O +45 Days
JCE-PNA-MVX300
60 MHz
300 MHz
D2O Added to Solution
Deuterium Exchange between D2O and labile protons
OH/NH/SH drastically reduced in intensity
Water Resonance Shifts
Labile OH
Groups
Reduced
Water
Aromatics
Olefin
alpha
Protons
Aliphatic
CH2/CH3
TMS
Ether
Alcohol
-1 .5-1.0-0.50.00.51.01.52.02.53.03.54 .04.55.05.56.06.57.07.58.08.59.09.510 .010.511.01 1.512.0
f1 (p p m )
Kio r-0 0 2 -H
H yd r otr ea te d H e a vy O il Z 13 2 8 00 0 1 20 0 0 pp m
KHD T-A 1 H NM R in CDCl3
JCE -P NA-Merc3 00
60 MHz
300 MHz
TMS
Aliphatic
alpha
CH3
alpha
CH2/CH
Could sharp peak be
cyclohexane
C 3H
-1.5-1.0-0.50.00.51.01 .52.02 .53.03.54.04.55 .05.56 .06.57.07.58.08.59 .09.510.010.511.011 .512.0
f1 (p p m )
Kio r-0 0 3 -H
H yd ro tr e a te d H e a vy O il D r u m #3 KHD T We e k ly F e e d
1 H N M R in DM S O
JCE -P N A-Merc 3 0 0
60 MHz
300 MHz
Labile OH
Groups
Water
and
Residual
Alcohol/Ether
Aromatics
Olefin
alpha
Protons
Aliphatic
CH2/CH3
TMS

ppm12345678
300 MHz
CH3
CH2
CH
a-CH3
a-CH2
Aromatics
Ethanol
Alkenes
60 MHz
Gasoline 1H NMR

Gasoline Parameters:
Octane Numbers
Distillation Properties (T10, T50, T90)
Benzene Content (wt%)
Total Aromatics (Wt%)
Total Olefins (Wt%)
Total Saturates (Wt%)
Oxygenates (Wt%)
Reid Vapor Pressure

Application: Closed Loop Reformer Control - Installed 1998
Reformer Capacity: 34,000 Barrels per Day
Control Strategy: Control on MON and Benzene Content
NMR Analysis: 2 Minute Analysis
NMR PLS Outputs: RON, MON, Benzene (Wt%) Total Aromatics (Wt%)
RON Validation - April 2001 - April 2002
100
101
102
103
104
105
106
107
108
1 3 5 7 9 11 13 15 17 19 21 23 25 27 29 31 33 35 37 39
NMR
CFR

Application: Steam Cracking Optimization Installed 2000
Cracker Facility Capacity: 600,000 Tonnes per Year
Control Strategy: Feed Forward Detailed Hydrocarbon Analysis to SPYRO Optimization
NMR Analysis: 3-4 Minute Cycle (Single Stream)
NMR PLS Outputs: Naphtha – Detailed PIONA
C4-C10 normal-paraffin, iso-paraffin, aromatics, naphthenes

Toluene
Actual Toluene (Wt%)
PredictedToluene(Wt%)(F9C1)
1
1
2
3
45
6
7
8
9
10
11
12
1314
15
16
17
18
19
20
21
22
2325
26
2728
29
30
31
32
33
34
35
36
37
383940
41
42
43
44
45
46
49
50
51
53
5456
58
59
62
63
66
68
69
70
71
73
75
76
77
78
79
80
82
83
84
85
86
87
88
90
91
9293
94
95
9697
98
99
101
102
103
104
105
106
108
109
110
111
112
113
114
115
116
117
118
119120
121
122123
124
125126
127
128
129130131132133134135136137
138139140
141142143
144145146
147148149
150151152
156157158
159160161
162163164
165166167168169170
171172173
174175176
177
178179
180181182
183184185
186187188
189190191
192193194
195196197
198199200
201202203
204205206
207208209210211212
213214215
216217218
219220221222223224
225226227
228229230
231232233
234235236
237238
239240241242243244245246247248249250251
252253
254
255256257
258259260261262263
264265266
267268269
270271272
273274275
279280281282
283284285
286287
288
289290291
292293294
295296
297298299300
301302303
304305306
307308309
310311312
313314315
319320321
322323324325326327
328329330
331332333334335336
337338339
340341342343344345
346347348
349350351
352353354
355356357
358359360
361362363
364365366367368369
370371372
373374375
376377378
379380381382383384
385386387
388389390391
392393
394395396
397398399400401402
403404405
406407408
409410411
412413414
427428429 430431432433434435
436437438
439440441
445446447
448449450
451452453454455456
457458
459
460461
462
463464
465
466467
471472473
477478
481482
483484485
489490493494495496
-.5
1
2.5
4
5.5
0 1.5 3 4.5
Spectral Units ( )
BetaCoefficient(F9C1)
-1.5
0
1.5
10 40 70 100 130
-1.5
0
1.5
10 40 70 100 130

Cyclohexane
Beta Coefficients
Spectral Units ( )Spectral Units ( )
BetaCoefficient(F9C1)
-2
-.5
1
2.5
10 40 70 100 130
-2
-.5
1
2.5
10 40 70 100 130
PredictedCyclohexane(F9C1)
1
4
7
10
1 4 7 101 4 7 10
1
23
45
6
7
8
910
11
12
1314
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
3132
33
34
35
36
37
38
39
4041
42
43
46
47
48
49
50
51
52
53
54
55
56
58
596067
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
84
85
86
87
88
89
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
108109
110111
112
113
115
116
117118
119120121
122123124
125126127
128129130131132133
134135136
137138139
140
141142
143144145146
147148149150151152
153154
161162163
164165166
167168169170171172173
174
175176177178
179180181
182183184
185186187
191192
193
194195
196
197198
199
200201202
203204205
206207208
209210211
212213214
215216
217
218219220
221
222
223
224225226
227
228229
230231232
233234235
236237238239240241
243244
245
246247
248249
250251
252
253
254255256
257258259
260261262
263264
265
266
267
268
269270271272
273
274275
276277
278
279280281
282283284
285286
287
288289290
291292293
294295296
297298299
300
301
302
303304305
309310311
312313314
315316317
318319320
321322323
324
325326
327328329
330
331332333334335
336337338339340341
342343
345346347
348349350
351352353
354355356357358359
360361362
363364365
366367368
369370371
372373374
375376377
378379380
381382383
384385386
387388389
390391392
393394395396397398
399400401
402403404
405
406407408409410
414415416
417418419
420421422423424425429430431
432433434438439440
441442443
444445
446
447448449
453454455
456457
458459460
464465466
482483
484485
486487488489
1
4
7
10
1 4 7 10
Actual Cyclohexane (Wt%)

Cyclopentane
Date
Wt%
GC
NMR

0
2
4
6
8
10
12
14
16
1 147 293 439 585 731 877 1023 1169 1315 1461 1607 1753
iso-C5
iso-C6
iso-C7
iso-C8
iso-C9
96 Hours of NMR Process Output – iso-Paraffin Components

0
0.5
1
1.5
2
2.5
3
3.5
4
1 167 333 499 665 831 997 1163 1329 1495 1661
Benzene
Toluene
Ethyl-Benzene
Xylenes
96 Hours of NMR Process Output – Aromatic Components

Application: Crude Distillation Unit Optimization and Control Installed 2001
Crude Unit Capacity: 180,000 Barrels per Day
Control Strategy: Control on Kero Freeze Point and Crude Tower Optimization
NMR Analysis: 15 Minute Cycle - NMR Results into ROMEO CDU Optimization
NMR PLS Outputs: Naphtha – T10, T50, T90, EP - D86 Distillation
Kero – Freeze, Flash
Crude – API, Sulfur, TBP (38, 105, 165, 365, 565C)
Kero Freeze Lab Vs NMR
-65
-60
-55
-50
-45
-40
2002/05/01
2002/05/03
2002/05/05
2002/05/07
2002/05/09
2002/05/11
2002/05/13
2002/05/15
2002/05/17
2002/05/19
Lab Freeze (DegC)
NMR Freeze (DegC)

Crude Adjustment
0
10
20
30
40
50
60
70
80
90
100
-150 50 250 450 650 850 1050
CutPoint Deg C
WT%Yield
Before
After
NMR
Crude
Reconciliation

20 40 60 80 100 120 140
VI 103
FACTOR1
F
A
C
T
O
R
3
IL
VI 115
VI 103
-3.0
-2.5
-2.0
-1.5
-1.0
-0.5
0.0
0.5
1.0
1.5
2.0
2.5
3.0
-2.0 -1.5 -1.0 -0.5 0.0 0.5 1.0 1.5 2.0
Dewaxing
Dearomatization
VI 100
AL
Base Oil Manufacturing – NMR Control

Col 4, line 5-14, “with at least 50% of the oil molecules containing at least one branch, at least half of which are methyl
branches. At least half, and more preferably at least 75% of the remaining branches are ethyl, with less than 25% and
preferably less than 15% of the total number of branches having three or more carbon atoms. The total number of branch
carbon atoms is typically less than 25%, preferably less than 20% and more preferably no more than 15% (e.g., 10-15%) of
the total number of carbon atoms comprising the hydrocarbon molecules.”
Col 4, line 24-29, “Thus, the molecular make up of a base stock of the invention comprises at least 95 wt. % isoparaffins
having a relatively linear molecular structure, with less than half the branches having two or more carbon atoms and less
than 25% of the total number of carbon atoms present in the branches.”
Col 12, Line 4-21, “What is claimed is:
1. A lubricant base stock comprising at least 95 wt. % non-cyclic iso-paraffins having a molecular structure in which less
than 25% of the total number of carbon atoms of the isoparaffin structure are contained in the branches and less than half of
the total iso-paraffin branches contain two or more carbon atoms.
2. A base stock according to claim 1 wherein at least half of the iso-paraffin branches are methyl branches.
3. A base stock according to claim 2 wherein at least half of the remaining, non-methyl branches are ethyl, with less than
25% of the total number of branches having three or more carbon atoms.
4. A base stock according to claim 3 wherein at least 75% of the non-methyl branches are ethyl.
5. A base stock according to claim 4 wherein of the total number of carbon atoms contained in the iso-paraffin molecule, 10-
15% of the carbon atoms are located in the branches.”
Col 2, line 8, “These base stocks are premium
synthetic lubricating oil base stocks of high
purity having a high VI, a low pour point and are
iso-paraffinic, in that they comprise at least 95
wt. % of non-cyclic iso-paraffins having a
molecular structure in which less than 25% of the
total number of carbon atoms are present in the
branches, and less than half the branches have
two or more carbon atoms.”

Quantitative 13C NMR of F-T Wax

p p m1 01 52 02 53 03 54 04 5
1H-13C DEPT NMR of F-T Wax
All Protonated Carbons
CH Carbons
CH2 Carbons
CH3 Carbons

Process NMR Associates Exxon FT-wax Patent

ppm15202530354045505560
b
g
d
e
a' b'
g'
t-et
p-et
p-pr
t-pr
Sub-Me
4-Me
Adj-Me
3-Me
2-Me
t-Bu
p-Bu
Reg1 Reg2 Reg3 Reg4 Reg5 Reg6
a
Peak X

ppm12141618202224262830
d b'
g'
b
t-et
p-et
p-pr
t-pr
Sub-Me
4-Me
Adj-Me
3-Me
2-Me
t-Bu
a
p-Bu
Peak X
Reg6Reg5Reg4Reg3

Residual Catalytic Cracking – Feed-stream Analysis
Analysis – Refractive Index, Distillation, Specific Gravity
Calculation – Watson K-Factor
Outcome: aromatic carbon number
aromatic hydrogen number
total hydrogen content
Proposition: Detailed hydrocarbon analysis for kinetic model development

0
5
10
15
20
25
20 40 60 80 100 120 140
0
.05
.1
.15
.2
.25
30 35 40 45 50 55 60
0
5
10
15
20
85 90 95 100 105 110 115 120 125
Aliphatic Region
CH3
CH2
Aromatic Region
60 MHz Process – 1H NMR Data
50 Samples

0
20
40
60
80
100
120
0 20 40 60 80 100
300 MHz - 1H NMR – RCC Feeds
0
20
40
60
80
100
120
0 20 40 60 80 100

Aromatic Region
15 20 25 30 35
Mono
Di
Tri
0
50
100
150
200
250
55 60 65 70 75 80 85 90 95 100
Aliphatic Region
CH3
CH2
Alpha-Protons
CH+Nap

0
20
40
60
80
0 5 10 15 20
Parameter 1H - Type Analysis
1 Total aromatic
2 Diaromatic+ protons
3 Monoaromatic protons
4 Total olefinic
5 RHC=CH2
6 RHC=CHR
7 RHC=CH2
8 Oxygenates protons
9 Total a protons to aromatics
10 a-CH to aromatics
11 a-CH2 to aromatics
12 a-CH3 to aromatics
13 Saturates
14 Paraffinic CH
15 Paraffinic CH3
16 Paraffinic CH3
17 Substituted aromatic carbon
18 Bridgehead carbons
19 Total aromatics (wt %)
20 Mono aromatics (wt %)
21 Di+ aromatics (wt %)
22 Benzene (wt %)
23 Olefin functions (wt %)
24 Oxygenates (wt %)
25 Saturates (wt %)
H-Type NMR Analysis
Depicted as a “Spectrum”

0
50
100
150
200
0 50 100 150 200
Aromatics
Aliphatics
13C NMR Data

Aromatic Region
40 50 60 70 80 90
140 150 160 170 180 190
Aliphatic Region

Index
Carbon Type Parameters (%C Unless Otherwise
Listed)
1 Ketone carbonyl carbon %c
2 Aldehyde carbonyl carbon
3 Carboxylic acids, esters and amides carbonyl carbon
4 Phenoxy carbon
5 CH2 & CH sub aromatic carbon
6 Naphthenic sub aromatic carbon
7 CH3 sub aromatic carbon
8 Half of internal aromatic carbon
9 Protonated Internal aromatic C+ 1/2 internal aromatic C
10 Protonated aromatic carbon
11 Heteroaromatic other than phenoxy carbon
12 Methine carbon
13 Methylene carbon
14 Methyl carbon
15 Total carbonyl carbon
16 Total aromatic carbon
17 Aliphatic sub aromatic carbon
18 Methyl-substituted aromatic carbon
19 CH2 & CH substituted aromatic carbon
20 Naphthenic substituted aromatic carbon
21 Internal aromatic carbon
22 Peripheral unsubstituted aromatic carbon
23 Total heteroaromatic carbon
24 Total olefinic carbon
25 Total aliphatic carbon
Index
Carbon Type Parameters (%C Unless Otherwise
Listed)
26 Aliphatic methine carbon (CH)
27 Aliphatic methylene carbon (CH2)
28 Aliphatic methyl carbon (CH3)
29 Total paraffinic carbon
30 Paraffinic methine carbon (CH)
31 Paraffinic methylene carbon (CH2)
32 Paraffinic methyl carbon (CH3)
33 Total naphthenic carbon
34 Naphthenic methine carbon (CH)
35 Naphthenic methylene carbon (CH2)
36 Naphthenic methyl carbon (CH3)
37 Reg1
38 a'
39 Reg2
40 g
41 Reg3
42 g'
43 e
44 d
45 Reg4
46 b'
47 Reg5
48 p-Bu
49 t-Bu
50 Peak x
Index Carbon Type Parameters (%C Unless Otherwise Listed)
51 b
52 2-Me
53 Aromatic a methyl carbon
54 All other-Me
55 3-Me
56 Reg7
57 p-Pr
58 t-Pr
59 4-Me
60 a
61 t-Ethyl
62 p-Ethyl
63
Linear Paraffin Structure: % Linear Paraffin/Total
Paraffin
64 Waxiness : % Epsilon C/Total Paraffin
65 Branching Index: %Branching CC/Total Paraffin
66
Total Branching Content: % C Near Branching C/Total
C
67
C in Branched Environment: % 1-linear paraffin
structure
68 Average Straight Chain Length (C No.)
69 Methyl branching index
70 Ethyl branching Index
71 Propyl branching Index
72 Butyl branching Index
73 Total ethyl branching content
74 Total propyl branching content
75 Total butyl branching content
Calculated C-Type Parameters

0
20
40
60
80
0 10 20 30 40 50 60 70
C-Type NMR Parameters
Depicted as a “Spectrum”

Resonance
Frequency
60 MHz Proton 300 MHz Proton 75 MHz Carbon-13
Parameter 1H NMR 0.1 ppm Bin 1H NMR - 0.1 ppm Bin H-Type Spectrum 13C NMR- 1 ppm Bin C-Type Spectrum
Density at 15o
C 0.961 0.983 0.924 0.982 0.974
Viscosity Index - 0.951 - 0.935 -
MCRT 0.940 0.952 0.727 0.931 0.875
SULPHUR 0.931 0.964 0.855 0.979 0.962
Carbon Aromaticity 0.958 0.951 0.926 0.998 0.997
HYDROGEN 0.925 0.914 0.819 0.922 0.862
Total Aromatics 0.936 0.946 0.904 0.965 0.941
Monoaromatics 0.930 0.941 0.912 0.954 0.897
Diaromatics 0.927 0.945 0.866 0.951 0.897
TriAromatics 0.941 0.911 0.862 0.939 0.863
Tetra+ aromatics 0.913 0.921 0.656 0.912 0.934
Summary of RCC Feed NMR Analysis – Correlations to Physical/Chemical Properties

density _13c_calculated.tdf ,5 (R² = 0.980019145)density _13c_calculated.tdf ,5 (R² = 0.980019145)
Actual Concentration ( C1 )Actual Concentration ( C1 )
PredictedConcentration(F6C1)PredictedConcentration(F6C1)
.85
.88
.91
.94
.97
.86 .89 .92 .95 .98
.85
.88
.91
.94
.97
.86 .89 .92 .95 .98
1
2
3
4
5
6
7
8
9
10
12
1415
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
37
38
39
4041
42
43
44
46
4748
49
50
51
52
54
55
56
.85
.88
.91
.94
.97
.86 .89 .92 .95 .98
Variable Selection Process
Reduces Number of Variables
Linear Equations that Describe
Density in terms of 13 Carbon
Type Parameters

13C Parameter
1H
NMR
13C
NMR
Total aromatic carbon 0.980 0.996
Aliphatic substituted aromatic carbon 0.962 0.999
Methyl-substituted aromatic carbon 0.970 0.994
CH2 & CH substituted aromatic carbon 0.935 0.996
Naphthenic substituted aromatic carbon 0.973 0.996
Internal aromatic carbon 0.949 0.994
Peripheral unsubstituted aromatic carbon 0.950 0.996
Total heteroaromatic carbon 0.275 0.976
Total aliphatic carbon 0.952 0.997
Aliphatic methine carbon (CH) 0.932 0.999
Aliphatic methylene carbon (CH2) 0.976 1.000
Aliphatic methyl carbon (CH3) 0.610 0.996
Total paraffinic carbon 0.984 0.995
P methine carbon (CH) 0.876 0.940
P methylene carbon (CH2) 0.987 0.998
P methyl carbon (CH3) 0.810 0.960
Total naphthenic carbon 0.964 0.989
N methine carbon (CH) 0.927 0.996
N methylene carbon (CH2) 0.957 0.987
N methyl carbon (CH3) 0.809 0.966
N methine/N methylene ratio 0.085 0.878
Mole fraction of bridgehead aromatic carbon 0.448 0.899
Aromatic carbons per aromatic group 0.697 0.895
13C Parameter
Cluster number (=aromatic group number)
1H
NMR
0.941
13C
NMR
0.995
Aliphatic substitutions per cluster 0.087 0.906
Methyl-substitutions per cluster 0.379 0.909
CH2 & CH substitutions per cluster 0.063 0.899
Naphthenic substitutions per cluster 0.227 0.910
Heteroatoms per cluster 0.032 0.926
Naphthenic CH3 per cluster 0.449 0.906
# of naphthenic ring carbons per cluster 0.524 0.924
Naphthenic rings per cluster 0.317 0.939
# of paraffinic carbons per cluster 0.892 0.934
Average chain length of paraffinic substitutions 0.913 0.932
Linear paraffin structure 0.972 0.976
Waxiness : e/total paraffin 0.977 0.983
Branching index 0.973 0.972
Total branching content 0.964 0.972
Carbons in branched environment 0.972 0.976
Average straight chain length 0.967 0.986
Methyl branching index 0.972 0.962
Ethyl branching Index 0.945 0.945
Propyl branching Index 0.919 0.932
Butyl branching Index 0.919 0.951
Total ethyl branching content 0.946 0.946
Total propyl branching content 0.919 0.933
Total butyl branching content 0.917 0.950
Correlation of 1H and 13C NMR Spectra to 13C Derived Parameters

Carbon AromaticityCorrletaed by1H NMR
5
10
15
20
25
30
5 10 15 20 25 30
Actual Fa (%C)
PredictedFa(%C)
Carbon Aromaticity Correlated to 13C Spectra
5
10
15
20
25
30
5 10 15 20 25 30
Actual Fa (%C)
PredictedFa(%C)
1H and 13C NMR Correlation to Carbon Aromaticity

13C NMR Branching Index - 1H NMR
3
4
5
6
7
8
9
10
11
12
3 4 5 6 7 8 9 10 11 12
Actual Branching Index
PredictedBranchingIndex
13C NMR Branching Index - 13C NMR
3
4
5
6
7
8
9
10
11
12
3 4 5 6 7 8 9 10 11 12
Actual Branching Index
PredictedBranchingIndex
1H and 13C NMR Correlation to Branching Index Branching Carbons/Total Paraffinic Carbons

1H NMR Reaction Monitoring – Esterification of t-butanol with acetic anhydride

CH3
CH3
CH3
O
O
CH3
CH3
CH3
CH3
OH
OH
O
CH3
CH3
O
O
O
CH3
A
B
C
D
E
E
B
D
A
C

2.0 1.5 1.0 ppm
Esterification of t-BuOH
Integral Graph
And Integration Plot
AcAn
Acetic Acid
Ac-Ester

1H NMR Zreaction Monitoring –propanol esterified with acetic anhydride

Sucrose
a-glucose
1H NMR – Sucrose Hydrolysis

Microreactor Process Monitoring – 1H NMR – Reaction: Cyclohexene -- Cyclohexane

At-Line Analyzer
1H NMR Observation of Alkene Saturation
Starting Material and Product
Dissolved in CDCl3
Comparison of 60 MHz and 300 MHz

Acknowledgements
Paul Giammatteo – PNA
Tal Cohen – ASPECT AI and Modcon
Cosa-Xentaur

Edwards - NMR Presentation

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