Gaining Molecular Insights into Porous Niobium-based Catalysts for One-pot Biomass Upgrading View Homepage


Ontology type: schema:MonetaryGrant     


Grant Info

YEARS

2017-2019

FUNDING AMOUNT

100910.0 GBP

ABSTRACT

As a sustainable source of organic carbon, biomass is playing an increasingly important role in our energy landscape. Lignocellulose, as the main component of woody biomass, is composed of cellulose, hemicellulose, and lignin. The upgrading of renewable lignocellulosic biomass is particularly attractive to bridge future gaps in the supply of chemical fuels and feedstocks. However, due to the complexity of the molecular structure of lignocellulosic biomass, particularly for the lignin portion, and its notorious resistance to chemical transformation, energy-efficient and cost-effective production of liquid fuels and chemical feedstocks from lignocellulose remains a highly challenging task worldwide. Recently, a family of porous Nb-based catalysts (Ru, Pt or Pd loaded porous NbOPO4 or Nb2O5) have exhibited an outstanding performance for the conversion of lignocellulosic biomass (190 oC, 5 MPa H2, 20 h) and bulk lignin (250 oC, 0.5 MPa H2, 20 h) into alkanes and arenes, respectively, via one-pot reactions. These reactions enable the complete removal of oxygen from biomass to produce liquid hydrocarbons and avoid chemical pre-treatment to the raw biomass materials, thus leading to potential energy savings in the biomass refinery based upon these novel catalysts. However, to date, little information on the catalytic active site or mechanism is known for these systems and little effort has been devoted to investigating the structural changes of these catalysts upon cycling reactions, where decreased activity/selectivity was often seen. Gaining in-depth understanding on the reaction mechanism and catalysts stability is of fundamental importance for the development of improved catalytic systems. This proposal will systematically investigate the binding dynamics, activation and conversion of the substrate molecules on the surface of the catalysts by a combination of spectroscopic, crystallographic and computational approaches. In particular, inelastic neutron scattering, a very powerful but rarely used spectroscopic technique, will be applied extensively to gain molecular details on these catalytic upgrading reactions of renewable biomass for the production of liquid fuels and high value aromatic chemicals. More importantly, the stability and details on structural degradation of the catalysts will be studied in situ under flow conditions via time-resolved X-ray crystallography and a range of chemical analytic approaches. The essential goal of converting biomass (esp. for the cellulose and hemicellulose portion) into liquid hydrocarbon fuels is the complete removal of oxygen through the cleavage of C-O bonds during the one-pot reaction. This project will determine the most stable reaction intermediate/s on the surface of catalysts and the stepwise pathway for the rate-determining steps (esp. for the cleavage of C-O bonds) within the entire conversion. In this way, we will understand the unique feature of these porous Nb-based catalysts in cleaving the C-O bonds to achieve the complete removal of oxygen from the system. The success of this project will not only gain in-depth understanding of the catalytic mechanism for some highly important but challenging biomass upgrading reactions, but also afford key insights into the design of new catalysts with improved structural stability and catalytic activity. This proposal involves multiple collaborations with Central Facilities and will strengthen the links between neutron scattering and catalysis. More... »

URL

https://gtr.ukri.org/project/97DD7A15-0681-4A5B-B9FF-DB1BEF764950

JSON-LD is the canonical representation for SciGraph data.

TIP: You can open this SciGraph record using an external JSON-LD service: JSON-LD Playground Google SDTT

[
  {
    "@context": "https://springernature.github.io/scigraph/jsonld/sgcontext.json", 
    "about": [
      {
        "id": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/03", 
        "inDefinedTermSet": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/", 
        "type": "DefinedTerm"
      }
    ], 
    "amount": {
      "currency": "GBP", 
      "type": "MonetaryAmount", 
      "value": 100910.0
    }, 
    "description": "As a sustainable source of organic carbon, biomass is playing an increasingly important role in our energy landscape. Lignocellulose, as the main component of woody biomass, is composed of cellulose, hemicellulose, and lignin. The upgrading of renewable lignocellulosic biomass is particularly attractive to bridge future gaps in the supply of chemical fuels and feedstocks. However, due to the complexity of the molecular structure of lignocellulosic biomass, particularly for the lignin portion, and its notorious resistance to chemical transformation, energy-efficient and cost-effective production of liquid fuels and chemical feedstocks from lignocellulose remains a highly challenging task worldwide. \n\nRecently, a family of porous Nb-based catalysts (Ru, Pt or Pd loaded porous NbOPO4 or Nb2O5) have exhibited an outstanding performance for the conversion of lignocellulosic biomass (190 oC, 5 MPa H2, 20 h) and bulk lignin (250 oC, 0.5 MPa H2, 20 h) into alkanes and arenes, respectively, via one-pot reactions. These reactions enable the complete removal of oxygen from biomass to produce liquid hydrocarbons and avoid chemical pre-treatment to the raw biomass materials, thus leading to potential energy savings in the biomass refinery based upon these novel catalysts. \n\nHowever, to date, little information on the catalytic active site or mechanism is known for these systems and little effort has been devoted to investigating the structural changes of these catalysts upon cycling reactions, where decreased activity/selectivity was often seen. Gaining in-depth understanding on the reaction mechanism and catalysts stability is of fundamental importance for the development of improved catalytic systems. \n\nThis proposal will systematically investigate the binding dynamics, activation and conversion of the substrate molecules on the surface of the catalysts by a combination of spectroscopic, crystallographic and computational approaches. In particular, inelastic neutron scattering, a very powerful but rarely used spectroscopic technique, will be applied extensively to gain molecular details on these catalytic upgrading reactions of renewable biomass for the production of liquid fuels and high value aromatic chemicals. More importantly, the stability and details on structural degradation of the catalysts will be studied in situ under flow conditions via time-resolved X-ray crystallography and a range of chemical analytic approaches. \n\nThe essential goal of converting biomass (esp. for the cellulose and hemicellulose portion) into liquid hydrocarbon fuels is the complete removal of oxygen through the cleavage of C-O bonds during the one-pot reaction. This project will determine the most stable reaction intermediate/s on the surface of catalysts and the stepwise pathway for the rate-determining steps (esp. for the cleavage of C-O bonds) within the entire conversion. In this way, we will understand the unique feature of these porous Nb-based catalysts in cleaving the C-O bonds to achieve the complete removal of oxygen from the system. \n\nThe success of this project will not only gain in-depth understanding of the catalytic mechanism for some highly important but challenging biomass upgrading reactions, but also afford key insights into the design of new catalysts with improved structural stability and catalytic activity. This proposal involves multiple collaborations with Central Facilities and will strengthen the links between neutron scattering and catalysis.", 
    "endDate": "2019-03-31", 
    "funder": {
      "id": "http://www.grid.ac/institutes/grid.421091.f", 
      "type": "Organization"
    }, 
    "id": "sg:grant.6445972", 
    "identifier": [
      {
        "name": "dimensions_id", 
        "type": "PropertyValue", 
        "value": [
          "grant.6445972"
        ]
      }, 
      {
        "name": "gtr_id", 
        "type": "PropertyValue", 
        "value": [
          "97DD7A15-0681-4A5B-B9FF-DB1BEF764950"
        ]
      }
    ], 
    "keywords": [
      "one-pot reaction", 
      "O bond", 
      "upgrading reactions", 
      "high-value aromatic chemicals", 
      "biomass upgrading reactions", 
      "surface of catalyst", 
      "niobium-based catalysts", 
      "catalytic active sites", 
      "activity/selectivity", 
      "improved catalytic system", 
      "neutron scattering", 
      "X-ray crystallography", 
      "improved structural stability", 
      "rate-determining step", 
      "liquid fuels", 
      "liquid hydrocarbon fuels", 
      "new catalysts", 
      "novel catalyst", 
      "lignocellulosic biomass", 
      "catalytic system", 
      "porous Nb", 
      "chemical fuels", 
      "chemical transformations", 
      "spectroscopic techniques", 
      "molecular structure", 
      "catalytic activity", 
      "biomass upgrading", 
      "renewable lignocellulosic biomass", 
      "chemical feedstock", 
      "catalyst", 
      "reaction mechanism", 
      "substrate molecules", 
      "time-resolved X-ray crystallography", 
      "aromatic chemicals", 
      "catalytic mechanism", 
      "active site", 
      "cycling reaction", 
      "entire conversion", 
      "stepwise pathway", 
      "complete removal", 
      "hydrocarbon fuels", 
      "structural stability", 
      "inelastic neutron scattering", 
      "bulk lignin", 
      "lignin portion", 
      "biomass refinery", 
      "renewable biomass", 
      "structural degradation", 
      "liquid hydrocarbons", 
      "reaction", 
      "biomass materials", 
      "energy landscape", 
      "bonds", 
      "raw biomass materials", 
      "oxygen", 
      "outstanding performance", 
      "cost-effective production", 
      "molecular insights", 
      "molecular details", 
      "conversion", 
      "computational approach", 
      "structural changes", 
      "stability", 
      "organic carbon", 
      "sustainable source", 
      "depth understanding", 
      "arenes", 
      "catalysis", 
      "crystallography", 
      "fuel", 
      "surface", 
      "selectivity", 
      "alkanes", 
      "feedstock", 
      "removal", 
      "molecules", 
      "fundamental importance", 
      "scattering", 
      "chemicals", 
      "hydrocarbons", 
      "lignin", 
      "carbon", 
      "cellulose", 
      "cleavage", 
      "upgrading", 
      "situ", 
      "main components", 
      "lignocellulose", 
      "unique features", 
      "Nb", 
      "materials", 
      "degradation", 
      "structure", 
      "mechanism", 
      "multiple collaborations", 
      "refinery", 
      "woody biomass", 
      "insights", 
      "detail", 
      "step", 
      "biomass", 
      "range", 
      "flow conditions", 
      "sites", 
      "transformation", 
      "important role", 
      "activity", 
      "system", 
      "technique", 
      "production", 
      "conditions", 
      "challenging task", 
      "performance", 
      "combination", 
      "gap", 
      "key insights", 
      "resistance", 
      "source", 
      "understanding", 
      "approach", 
      "components", 
      "pathway", 
      "dynamics", 
      "essential goal", 
      "design", 
      "activation", 
      "development", 
      "changes", 
      "importance", 
      "features", 
      "role", 
      "way", 
      "portion", 
      "efforts", 
      "central facility", 
      "date", 
      "little information", 
      "family", 
      "little effort", 
      "information", 
      "potential energy savings", 
      "energy savings", 
      "complexity", 
      "supply", 
      "proposal", 
      "facilities", 
      "landscape", 
      "goal", 
      "success", 
      "savings", 
      "link", 
      "future gaps", 
      "project", 
      "analytic approach", 
      "task", 
      "collaboration", 
      "notorious resistance"
    ], 
    "name": "Gaining Molecular Insights into Porous Niobium-based Catalysts for One-pot Biomass Upgrading", 
    "recipient": [
      {
        "id": "http://www.grid.ac/institutes/grid.5379.8", 
        "type": "Organization"
      }, 
      {
        "id": "http://www.grid.ac/institutes/grid.18785.33", 
        "type": "Organization"
      }, 
      {
        "affiliation": {
          "id": "http://www.grid.ac/institutes/None", 
          "name": "University of Manchester", 
          "type": "Organization"
        }, 
        "familyName": "Yang", 
        "givenName": "Sihai", 
        "id": "sg:person.01304370233.42", 
        "type": "Person"
      }, 
      {
        "member": "sg:person.01304370233.42", 
        "roleName": "PI", 
        "type": "Role"
      }
    ], 
    "sameAs": [
      "https://app.dimensions.ai/details/grant/grant.6445972"
    ], 
    "sdDataset": "grants", 
    "sdDatePublished": "2022-08-04T17:23", 
    "sdLicense": "https://scigraph.springernature.com/explorer/license/", 
    "sdPublisher": {
      "name": "Springer Nature - SN SciGraph project", 
      "type": "Organization"
    }, 
    "sdSource": "s3://com-springernature-scigraph/baseset/20220804/entities/gbq_results/grant/grant_2.jsonl", 
    "startDate": "2017-03-31", 
    "type": "MonetaryGrant", 
    "url": "https://gtr.ukri.org/project/97DD7A15-0681-4A5B-B9FF-DB1BEF764950"
  }
]
 

Download the RDF metadata as:  json-ld nt turtle xml License info

HOW TO GET THIS DATA PROGRAMMATICALLY:

JSON-LD is a popular format for linked data which is fully compatible with JSON.

curl -H 'Accept: application/ld+json' 'https://scigraph.springernature.com/grant.6445972'

N-Triples is a line-based linked data format ideal for batch operations.

curl -H 'Accept: application/n-triples' 'https://scigraph.springernature.com/grant.6445972'

Turtle is a human-readable linked data format.

curl -H 'Accept: text/turtle' 'https://scigraph.springernature.com/grant.6445972'

RDF/XML is a standard XML format for linked data.

curl -H 'Accept: application/rdf+xml' 'https://scigraph.springernature.com/grant.6445972'


 

This table displays all metadata directly associated to this object as RDF triples.

203 TRIPLES      18 PREDICATES      179 URIs      170 LITERALS      5 BLANK NODES

Subject Predicate Object
1 sg:grant.6445972 schema:about anzsrc-for:03
2 schema:amount N924dc5a0e468480a8e2356a608b57a6d
3 schema:description As a sustainable source of organic carbon, biomass is playing an increasingly important role in our energy landscape. Lignocellulose, as the main component of woody biomass, is composed of cellulose, hemicellulose, and lignin. The upgrading of renewable lignocellulosic biomass is particularly attractive to bridge future gaps in the supply of chemical fuels and feedstocks. However, due to the complexity of the molecular structure of lignocellulosic biomass, particularly for the lignin portion, and its notorious resistance to chemical transformation, energy-efficient and cost-effective production of liquid fuels and chemical feedstocks from lignocellulose remains a highly challenging task worldwide. Recently, a family of porous Nb-based catalysts (Ru, Pt or Pd loaded porous NbOPO4 or Nb2O5) have exhibited an outstanding performance for the conversion of lignocellulosic biomass (190 oC, 5 MPa H2, 20 h) and bulk lignin (250 oC, 0.5 MPa H2, 20 h) into alkanes and arenes, respectively, via one-pot reactions. These reactions enable the complete removal of oxygen from biomass to produce liquid hydrocarbons and avoid chemical pre-treatment to the raw biomass materials, thus leading to potential energy savings in the biomass refinery based upon these novel catalysts. However, to date, little information on the catalytic active site or mechanism is known for these systems and little effort has been devoted to investigating the structural changes of these catalysts upon cycling reactions, where decreased activity/selectivity was often seen. Gaining in-depth understanding on the reaction mechanism and catalysts stability is of fundamental importance for the development of improved catalytic systems. This proposal will systematically investigate the binding dynamics, activation and conversion of the substrate molecules on the surface of the catalysts by a combination of spectroscopic, crystallographic and computational approaches. In particular, inelastic neutron scattering, a very powerful but rarely used spectroscopic technique, will be applied extensively to gain molecular details on these catalytic upgrading reactions of renewable biomass for the production of liquid fuels and high value aromatic chemicals. More importantly, the stability and details on structural degradation of the catalysts will be studied in situ under flow conditions via time-resolved X-ray crystallography and a range of chemical analytic approaches. The essential goal of converting biomass (esp. for the cellulose and hemicellulose portion) into liquid hydrocarbon fuels is the complete removal of oxygen through the cleavage of C-O bonds during the one-pot reaction. This project will determine the most stable reaction intermediate/s on the surface of catalysts and the stepwise pathway for the rate-determining steps (esp. for the cleavage of C-O bonds) within the entire conversion. In this way, we will understand the unique feature of these porous Nb-based catalysts in cleaving the C-O bonds to achieve the complete removal of oxygen from the system. The success of this project will not only gain in-depth understanding of the catalytic mechanism for some highly important but challenging biomass upgrading reactions, but also afford key insights into the design of new catalysts with improved structural stability and catalytic activity. This proposal involves multiple collaborations with Central Facilities and will strengthen the links between neutron scattering and catalysis.
4 schema:endDate 2019-03-31
5 schema:funder grid-institutes:grid.421091.f
6 schema:identifier N293f58cd9525430ab61a3e4f7fa4438d
7 Nb232179235684f4d96622d8dc68f8e66
8 schema:keywords Nb
9 O bond
10 X-ray crystallography
11 activation
12 active site
13 activity
14 activity/selectivity
15 alkanes
16 analytic approach
17 approach
18 arenes
19 aromatic chemicals
20 biomass
21 biomass materials
22 biomass refinery
23 biomass upgrading
24 biomass upgrading reactions
25 bonds
26 bulk lignin
27 carbon
28 catalysis
29 catalyst
30 catalytic active sites
31 catalytic activity
32 catalytic mechanism
33 catalytic system
34 cellulose
35 central facility
36 challenging task
37 changes
38 chemical feedstock
39 chemical fuels
40 chemical transformations
41 chemicals
42 cleavage
43 collaboration
44 combination
45 complete removal
46 complexity
47 components
48 computational approach
49 conditions
50 conversion
51 cost-effective production
52 crystallography
53 cycling reaction
54 date
55 degradation
56 depth understanding
57 design
58 detail
59 development
60 dynamics
61 efforts
62 energy landscape
63 energy savings
64 entire conversion
65 essential goal
66 facilities
67 family
68 features
69 feedstock
70 flow conditions
71 fuel
72 fundamental importance
73 future gaps
74 gap
75 goal
76 high-value aromatic chemicals
77 hydrocarbon fuels
78 hydrocarbons
79 importance
80 important role
81 improved catalytic system
82 improved structural stability
83 inelastic neutron scattering
84 information
85 insights
86 key insights
87 landscape
88 lignin
89 lignin portion
90 lignocellulose
91 lignocellulosic biomass
92 link
93 liquid fuels
94 liquid hydrocarbon fuels
95 liquid hydrocarbons
96 little effort
97 little information
98 main components
99 materials
100 mechanism
101 molecular details
102 molecular insights
103 molecular structure
104 molecules
105 multiple collaborations
106 neutron scattering
107 new catalysts
108 niobium-based catalysts
109 notorious resistance
110 novel catalyst
111 one-pot reaction
112 organic carbon
113 outstanding performance
114 oxygen
115 pathway
116 performance
117 porous Nb
118 portion
119 potential energy savings
120 production
121 project
122 proposal
123 range
124 rate-determining step
125 raw biomass materials
126 reaction
127 reaction mechanism
128 refinery
129 removal
130 renewable biomass
131 renewable lignocellulosic biomass
132 resistance
133 role
134 savings
135 scattering
136 selectivity
137 sites
138 situ
139 source
140 spectroscopic techniques
141 stability
142 step
143 stepwise pathway
144 structural changes
145 structural degradation
146 structural stability
147 structure
148 substrate molecules
149 success
150 supply
151 surface
152 surface of catalyst
153 sustainable source
154 system
155 task
156 technique
157 time-resolved X-ray crystallography
158 transformation
159 understanding
160 unique features
161 upgrading
162 upgrading reactions
163 way
164 woody biomass
165 schema:name Gaining Molecular Insights into Porous Niobium-based Catalysts for One-pot Biomass Upgrading
166 schema:recipient Ne177dbefc508457a882c3eec032df143
167 sg:person.01304370233.42
168 grid-institutes:grid.18785.33
169 grid-institutes:grid.5379.8
170 schema:sameAs https://app.dimensions.ai/details/grant/grant.6445972
171 schema:sdDatePublished 2022-08-04T17:23
172 schema:sdLicense https://scigraph.springernature.com/explorer/license/
173 schema:sdPublisher N6f64e627231a4f689933aa5ffacb5104
174 schema:startDate 2017-03-31
175 schema:url https://gtr.ukri.org/project/97DD7A15-0681-4A5B-B9FF-DB1BEF764950
176 sgo:license sg:explorer/license/
177 sgo:sdDataset grants
178 rdf:type schema:MonetaryGrant
179 N293f58cd9525430ab61a3e4f7fa4438d schema:name dimensions_id
180 schema:value grant.6445972
181 rdf:type schema:PropertyValue
182 N6f64e627231a4f689933aa5ffacb5104 schema:name Springer Nature - SN SciGraph project
183 rdf:type schema:Organization
184 N924dc5a0e468480a8e2356a608b57a6d schema:currency GBP
185 schema:value 100910.0
186 rdf:type schema:MonetaryAmount
187 Nb232179235684f4d96622d8dc68f8e66 schema:name gtr_id
188 schema:value 97DD7A15-0681-4A5B-B9FF-DB1BEF764950
189 rdf:type schema:PropertyValue
190 Ne177dbefc508457a882c3eec032df143 schema:member sg:person.01304370233.42
191 schema:roleName PI
192 rdf:type schema:Role
193 anzsrc-for:03 schema:inDefinedTermSet anzsrc-for:
194 rdf:type schema:DefinedTerm
195 sg:person.01304370233.42 schema:affiliation grid-institutes:None
196 schema:familyName Yang
197 schema:givenName Sihai
198 rdf:type schema:Person
199 grid-institutes:None schema:name University of Manchester
200 rdf:type schema:Organization
201 grid-institutes:grid.18785.33 schema:Organization
202 grid-institutes:grid.421091.f schema:Organization
203 grid-institutes:grid.5379.8 schema:Organization
 




Preview window. Press ESC to close (or click here)


...