FR2865820B1 - Method to build a database to select at least one suitable catalyst has a reaction - Google Patents

Method to build a database to select at least one suitable catalyst has 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
build
select
method
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 claimed from EP20050717693 external-priority patent/EP1718583A1/en
Publication of FR2865820A1 publication Critical patent/FR2865820A1/en
Application granted granted Critical
Publication of FR2865820B1 publication Critical patent/FR2865820B1/en
Application status is Expired - Fee Related legal-status Critical
Anticipated expiration legal-status Critical

Links

Classifications

    • GPHYSICS
    • G16INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16CCOMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/90Programming languages; Computing architectures; Database systems; Data warehousing
    • BPERFORMING OPERATIONS; TRANSPORTING
    • B01PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL
    • B01JCHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOID CHEMISTRY; THEIR RELEVANT APPARATUS
    • B01J21/00Catalysts comprising the elements, oxides, or hydroxides of magnesium, boron, aluminium, carbon, silicon, titanium, zirconium, or hafnium
    • B01J21/18Carbon
    • BPERFORMING OPERATIONS; TRANSPORTING
    • B01PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL
    • B01JCHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOID CHEMISTRY; THEIR RELEVANT APPARATUS
    • B01J2219/00Chemical, physical or physico-chemical processes in general; Their relevant apparatus
    • B01J2219/00274Sequential or parallel reactions; Apparatus and devices for combinatorial chemistry or for making arrays; Chemical library technology
    • B01J2219/0068Means for controlling the apparatus of the process
    • B01J2219/00702Processes involving means for analysing and characterising the products
    • BPERFORMING OPERATIONS; TRANSPORTING
    • B01PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL
    • B01JCHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOID CHEMISTRY; THEIR RELEVANT APPARATUS
    • B01J2219/00Chemical, physical or physico-chemical processes in general; Their relevant apparatus
    • B01J2219/00274Sequential or parallel reactions; Apparatus and devices for combinatorial chemistry or for making arrays; Chemical library technology
    • B01J2219/00718Type of compounds synthesised
    • B01J2219/00745Inorganic compounds
    • B01J2219/00747Catalysts
    • BPERFORMING OPERATIONS; TRANSPORTING
    • B01PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL
    • B01JCHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOID CHEMISTRY; THEIR RELEVANT APPARATUS
    • B01J23/00Catalysts comprising metals or metal oxides or hydroxides, not provided for in group B01J21/00
    • B01J23/16Catalysts 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
    • B01J23/32Manganese, technetium or rhenium
    • B01J23/36Rhenium
    • BPERFORMING OPERATIONS; TRANSPORTING
    • B01PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL
    • B01JCHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOID CHEMISTRY; THEIR RELEVANT APPARATUS
    • B01J23/00Catalysts comprising metals or metal oxides or hydroxides, not provided for in group B01J21/00
    • B01J23/38Catalysts comprising metals or metal oxides or hydroxides, not provided for in group B01J21/00 of noble metals
    • BPERFORMING OPERATIONS; TRANSPORTING
    • B01PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL
    • B01JCHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOID CHEMISTRY; THEIR RELEVANT APPARATUS
    • B01J27/00Catalysts comprising the elements or compounds of halogens, sulfur, selenium, tellurium, phosphorus or nitrogen; Catalysts comprising carbon compounds
    • B01J27/02Sulfur, selenium or tellurium; Compounds thereof
    • B01J27/053Sulfates
    • BPERFORMING OPERATIONS; TRANSPORTING
    • B01PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL
    • B01JCHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOID CHEMISTRY; THEIR RELEVANT APPARATUS
    • B01J27/00Catalysts comprising the elements or compounds of halogens, sulfur, selenium, tellurium, phosphorus or nitrogen; Catalysts comprising carbon compounds
    • B01J27/20Carbon compounds
    • B01J27/232Carbonates
    • GPHYSICS
    • G16INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16CCOMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/10Analysis or design of chemical reactions, syntheses or processes

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 to build a database to select at least one suitable catalyst has a reaction Expired - Fee Related FR2865820B1 (en)

Priority Applications (1)

Application Number Priority Date Filing Date Title
FR0450172A FR2865820B1 (en) 2004-01-30 2004-01-30 Method to build a database to select at least one suitable catalyst has a reaction

Applications Claiming Priority (4)

Application Number Priority Date Filing Date Title
FR0450172A FR2865820B1 (en) 2004-01-30 2004-01-30 Method to build a database to select at least one suitable catalyst has a reaction
EP20050717693 EP1718583A1 (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
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

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 to build a database to select at least one suitable catalyst has a reaction

Country Status (1)

Country Link
FR (1) FR2865820B1 (en)

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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Legal Events

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Effective date: 20120928