FR2865820B1 - METHOD FOR ESTABLISHING A DATABASE FOR SELECTING AT LEAST ONE CATALYST ADAPTED TO A REACTION - Google Patents

METHOD FOR ESTABLISHING A DATABASE FOR SELECTING AT LEAST ONE CATALYST ADAPTED TO A REACTION

Info

Publication number
FR2865820B1
FR2865820B1 FR0450172A FR0450172A FR2865820B1 FR 2865820 B1 FR2865820 B1 FR 2865820B1 FR 0450172 A FR0450172 A FR 0450172A FR 0450172 A FR0450172 A FR 0450172A FR 2865820 B1 FR2865820 B1 FR 2865820B1
Authority
FR
France
Prior art keywords
reaction
database
selecting
establishing
catalyst
Prior art date
Legal status (The legal status is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the status listed.)
Expired - Fee Related
Application number
FR0450172A
Other languages
French (fr)
Other versions
FR2865820A1 (en
Inventor
Alain Wagner
Cedric Catala
Current Assignee (The listed assignees may be inaccurate. Google has not performed a legal analysis and makes no representation or warranty as to the accuracy of the list.)
Novalyst Discovery
Original Assignee
Novalyst Discovery
Priority date (The priority date is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the date listed.)
Filing date
Publication date
Application filed by Novalyst Discovery filed Critical Novalyst Discovery
Priority to FR0450172A priority Critical patent/FR2865820B1/en
Priority to PCT/FR2005/050054 priority patent/WO2005077864A1/en
Priority to US10/587,336 priority patent/US20070161039A1/en
Priority to EP05717693A priority patent/EP1718583A1/en
Publication of FR2865820A1 publication Critical patent/FR2865820A1/en
Application granted granted Critical
Publication of FR2865820B1 publication Critical patent/FR2865820B1/en
Anticipated expiration legal-status Critical
Expired - Fee Related legal-status Critical Current

Links

Classifications

    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/90—Programming languages; Computing architectures; Database systems; Data warehousing
    • B—PERFORMING OPERATIONS; TRANSPORTING
    • B01—PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL
    • B01J—CHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOID CHEMISTRY; THEIR RELEVANT APPARATUS
    • B01J21/00—Catalysts comprising the elements, oxides, or hydroxides of magnesium, boron, aluminium, carbon, silicon, titanium, zirconium, or hafnium
    • B01J21/18—Carbon
    • B—PERFORMING OPERATIONS; TRANSPORTING
    • B01—PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL
    • B01J—CHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOID CHEMISTRY; THEIR RELEVANT APPARATUS
    • B01J2219/00—Chemical, physical or physico-chemical processes in general; Their relevant apparatus
    • B01J2219/00274—Sequential or parallel reactions; Apparatus and devices for combinatorial chemistry or for making arrays; Chemical library technology
    • B01J2219/0068—Means for controlling the apparatus of the process
    • B01J2219/00702—Processes involving means for analysing and characterising the products
    • B—PERFORMING OPERATIONS; TRANSPORTING
    • B01—PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL
    • B01J—CHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOID CHEMISTRY; THEIR RELEVANT APPARATUS
    • B01J2219/00—Chemical, physical or physico-chemical processes in general; Their relevant apparatus
    • B01J2219/00274—Sequential or parallel reactions; Apparatus and devices for combinatorial chemistry or for making arrays; Chemical library technology
    • B01J2219/00718—Type of compounds synthesised
    • B01J2219/00745—Inorganic compounds
    • B01J2219/00747—Catalysts
    • B—PERFORMING OPERATIONS; TRANSPORTING
    • B01—PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL
    • B01J—CHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOID CHEMISTRY; THEIR RELEVANT APPARATUS
    • B01J23/00—Catalysts comprising metals or metal oxides or hydroxides, not provided for in group B01J21/00
    • B01J23/16—Catalysts comprising metals or metal oxides or hydroxides, not provided for in group B01J21/00 of arsenic, antimony, bismuth, vanadium, niobium, tantalum, polonium, chromium, molybdenum, tungsten, manganese, technetium or rhenium
    • B01J23/32—Manganese, technetium or rhenium
    • B01J23/36—Rhenium
    • B—PERFORMING OPERATIONS; TRANSPORTING
    • B01—PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL
    • B01J—CHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOID CHEMISTRY; THEIR RELEVANT APPARATUS
    • B01J23/00—Catalysts comprising metals or metal oxides or hydroxides, not provided for in group B01J21/00
    • B01J23/38—Catalysts comprising metals or metal oxides or hydroxides, not provided for in group B01J21/00 of noble metals
    • B—PERFORMING OPERATIONS; TRANSPORTING
    • B01—PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL
    • B01J—CHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOID CHEMISTRY; THEIR RELEVANT APPARATUS
    • B01J27/00—Catalysts comprising the elements or compounds of halogens, sulfur, selenium, tellurium, phosphorus or nitrogen; Catalysts comprising carbon compounds
    • B01J27/02—Sulfur, selenium or tellurium; Compounds thereof
    • B01J27/053—Sulfates
    • B—PERFORMING OPERATIONS; TRANSPORTING
    • B01—PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL
    • B01J—CHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOID CHEMISTRY; THEIR RELEVANT APPARATUS
    • B01J27/00—Catalysts comprising the elements or compounds of halogens, sulfur, selenium, tellurium, phosphorus or nitrogen; Catalysts comprising carbon compounds
    • B01J27/20—Carbon compounds
    • B01J27/232—Carbonates
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/10—Analysis or design of chemical reactions, syntheses or processes

Landscapes

  • Engineering & Computer Science (AREA)
  • Computing Systems (AREA)
  • Theoretical Computer Science (AREA)
  • Databases & Information Systems (AREA)
  • Software Systems (AREA)
  • Chemical & Material Sciences (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Investigating Or Analyzing Non-Biological Materials By The Use Of Chemical Means (AREA)

Abstract

Producing a database for selecting a catalyst for a given reaction comprises preparing a set of different reaction mixtures containing the same reactivity probe and a catalyst, analyzing each reaction mixture after reaction, and assigning to the database an analytical result characterizing different reaction products of the probe.
FR0450172A 2004-01-30 2004-01-30 METHOD FOR ESTABLISHING A DATABASE FOR SELECTING AT LEAST ONE CATALYST ADAPTED TO A REACTION Expired - Fee Related FR2865820B1 (en)

Priority Applications (4)

Application Number Priority Date Filing Date Title
FR0450172A FR2865820B1 (en) 2004-01-30 2004-01-30 METHOD FOR ESTABLISHING A DATABASE FOR SELECTING AT LEAST ONE CATALYST ADAPTED TO A REACTION
PCT/FR2005/050054 WO2005077864A1 (en) 2004-01-30 2005-01-28 Method for creating a database enabling the selection of at least one reaction-capable catalyst
US10/587,336 US20070161039A1 (en) 2004-01-30 2005-01-28 Method for creating a database enabling the selection of at least one reaction-capable catalyst
EP05717693A EP1718583A1 (en) 2004-01-30 2005-01-28 Method for creating a database enabling the selection of at least one reaction-capable catalyst

Applications Claiming Priority (1)

Application Number Priority Date Filing Date Title
FR0450172A FR2865820B1 (en) 2004-01-30 2004-01-30 METHOD FOR ESTABLISHING A DATABASE FOR SELECTING AT LEAST ONE CATALYST ADAPTED TO A REACTION

Publications (2)

Publication Number Publication Date
FR2865820A1 FR2865820A1 (en) 2005-08-05
FR2865820B1 true FR2865820B1 (en) 2006-07-21

Family

ID=34746513

Family Applications (1)

Application Number Title Priority Date Filing Date
FR0450172A Expired - Fee Related FR2865820B1 (en) 2004-01-30 2004-01-30 METHOD FOR ESTABLISHING A DATABASE FOR SELECTING AT LEAST ONE CATALYST ADAPTED TO A REACTION

Country Status (1)

Country Link
FR (1) FR2865820B1 (en)

Families Citing this family (1)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
CN113782106B (en) * 2021-07-29 2024-04-16 空气动力学国家重点实验室 Solving method for high enthalpy dissociation gas surface catalysis reaction rate for CFD

Family Cites Families (3)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
GB2327754B (en) * 1997-07-26 2000-03-15 Johnson Matthey Plc Improvements in catalyst testing
US6149882A (en) * 1998-06-09 2000-11-21 Symyx Technologies, Inc. Parallel fixed bed reactor and fluid contacting apparatus
WO2002014854A1 (en) * 2000-08-14 2002-02-21 Chevron U.S.A. Inc. Use of microchannel reactors in combinatorial chemistry

Also Published As

Publication number Publication date
FR2865820A1 (en) 2005-08-05

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Effective date: 20120928