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1. WO2020113136 - SCREENING METHODS AND RELATED CATALYSTS, MATERIALS, COMPOSITIONS, METHODS AND SYSTEMS

Publication Number WO/2020/113136
Publication Date 04.06.2020
International Application No. PCT/US2019/063799
International Filing Date 27.11.2019
IPC
G16C 20/10 2019.01
GPHYSICS
16INFORMATION AND COMMUNICATION TECHNOLOGY SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
CCOMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
20Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
10Analysis or design of chemical reactions, syntheses or processes
G16C 20/30 2019.01
GPHYSICS
16INFORMATION AND COMMUNICATION TECHNOLOGY SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
CCOMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
20Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
30Prediction of properties of chemical compounds, compositions or mixtures
B01J 23/745 2006.01
BPERFORMING OPERATIONS; TRANSPORTING
01PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL
JCHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOID CHEMISTRY; THEIR RELEVANT APPARATUS
23Catalysts comprising metals or metal oxides or hydroxides, not provided for in group B01J21/113
70of the iron group metals or copper
74Iron group metals
745Iron
B01J 35/02 2006.01
BPERFORMING OPERATIONS; TRANSPORTING
01PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL
JCHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOID CHEMISTRY; THEIR RELEVANT APPARATUS
35Catalysts, in general, characterised by their form or physical properties
02Solids
CPC
B01J 23/745
BPERFORMING OPERATIONS; TRANSPORTING
01PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL
JCHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOID CHEMISTRY; THEIR RELEVANT APPARATUS
23Catalysts comprising metals or metal oxides or hydroxides, not provided for in group B01J21/00
70of the iron group metals or copper
74Iron group metals
745Iron
B01J 23/80
BPERFORMING OPERATIONS; TRANSPORTING
01PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL
JCHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOID CHEMISTRY; THEIR RELEVANT APPARATUS
23Catalysts comprising metals or metal oxides or hydroxides, not provided for in group B01J21/00
70of the iron group metals or copper
76combined with metals, oxides or hydroxides provided for in groups B01J23/02 - B01J23/36
80with zinc, cadmium or mercury
B01J 35/0006
BPERFORMING OPERATIONS; TRANSPORTING
01PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL
JCHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOID CHEMISTRY; THEIR RELEVANT APPARATUS
35Catalysts, in general, characterised by their form or physical properties
0006Catalysts containing parts with different compositions
B01J 35/0046
BPERFORMING OPERATIONS; TRANSPORTING
01PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL
JCHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOID CHEMISTRY; THEIR RELEVANT APPARATUS
35Catalysts, in general, characterised by their form or physical properties
002Catalysts characterised by their physical properties
0046Physical properties of the active metal ingredient
C01C 1/0411
CCHEMISTRY; METALLURGY
01INORGANIC CHEMISTRY
CAMMONIA; CYANOGEN; COMPOUNDS THEREOF
1Ammonia; Compounds thereof
02Preparation, ; purification; or separation of ammonia
04Preparation of ammonia by synthesis ; in the gas phase
0405from N2 and H2 in presence of a catalyst
0411characterised by the catalyst
G06F 2111/08
GPHYSICS
06COMPUTING; CALCULATING; COUNTING
FELECTRIC DIGITAL DATA PROCESSING
2111Details relating to CAD techniques
08Probabilistic or stochastic CAD
Applicants
  • CALIFORNIA INSTITUTE OF TECHNOLOGY [US]/[US]
  • BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, RENO [US]/[US]
Inventors
  • GODDARD, III, William A
  • FORTUNELLI, Alessandro
  • AN, Qi
Agents
  • DONG, Lun-Cong
  • BRUNO, Enrica
  • STEINFL, Alessandro
  • CASH, Brian J.
  • PEREZ, Ronald E
  • XU, Jiancong
Priority Data
62/771,98827.11.2018US
Publication Language English (EN)
Filing Language English (EN)
Designated States
Title
(EN) SCREENING METHODS AND RELATED CATALYSTS, MATERIALS, COMPOSITIONS, METHODS AND SYSTEMS
(FR) PROCÉDÉS DE CRIBLAGE ET CATALYSEURS, MATÉRIAUX, COMPOSITIONS, PROCÉDÉS ET SYSTÈMES ASSOCIÉS
Abstract
(EN)
Provided herein are screening methods to select catalysts having a desired set of target properties from a reference catalyst, and catalysts so obtained, as well as related catalysts material, composition, methods and systems.
(FR)
L'invention concerne des procédés de criblage pour sélectionner des catalyseurs ayant un ensemble souhaité de propriétés cibles à partir d'un catalyseur de référence, et des catalyseurs ainsi obtenus, ainsi que des matériaux, des compositions, des procédés et des systèmes associés.
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