ES2383513T3 - Procedimiento de selección de nuevos materiales por estimación de la actividad catalítica o la aptitud para el almacenamiento de los radioelementos - Google Patents

Procedimiento de selección de nuevos materiales por estimación de la actividad catalítica o la aptitud para el almacenamiento de los radioelementos Download PDF

Info

Publication number
ES2383513T3
ES2383513T3 ES01401355T ES01401355T ES2383513T3 ES 2383513 T3 ES2383513 T3 ES 2383513T3 ES 01401355 T ES01401355 T ES 01401355T ES 01401355 T ES01401355 T ES 01401355T ES 2383513 T3 ES2383513 T3 ES 2383513T3
Authority
ES
Spain
Prior art keywords
mesh
calculation
dxy
dab
whose
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 - Lifetime
Application number
ES01401355T
Other languages
English (en)
Spanish (es)
Inventor
Hervé Toulhoat
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.)
IFP Energies Nouvelles IFPEN
Original Assignee
IFP Energies Nouvelles IFPEN
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 IFP Energies Nouvelles IFPEN filed Critical IFP Energies Nouvelles IFPEN
Application granted granted Critical
Publication of ES2383513T3 publication Critical patent/ES2383513T3/es
Anticipated expiration legal-status Critical
Expired - Lifetime legal-status Critical Current

Links

Classifications

    • GPHYSICS
    • G21NUCLEAR PHYSICS; NUCLEAR ENGINEERING
    • G21FPROTECTION AGAINST X-RADIATION, GAMMA RADIATION, CORPUSCULAR RADIATION OR PARTICLE BOMBARDMENT; TREATING RADIOACTIVELY CONTAMINATED MATERIAL; DECONTAMINATION ARRANGEMENTS THEREFOR
    • G21F9/00Treating radioactively contaminated material; Decontamination arrangements therefor
    • G21F9/28Treating solids
    • G21F9/30Processing
    • G21F9/301Processing by fixation in stable solid media
    • G21F9/302Processing by fixation in stable solid media in an inorganic matrix
    • BPERFORMING OPERATIONS; TRANSPORTING
    • B01PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL
    • B01JCHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOID CHEMISTRY; THEIR RELEVANT APPARATUS
    • B01J19/00Chemical, physical or physico-chemical processes in general; Their relevant apparatus
    • B01J19/0046Sequential or parallel reactions, e.g. for the synthesis of polypeptides or polynucleotides; Apparatus and devices for combinatorial chemistry or for making molecular arrays
    • GPHYSICS
    • G21NUCLEAR PHYSICS; NUCLEAR ENGINEERING
    • G21FPROTECTION AGAINST X-RADIATION, GAMMA RADIATION, CORPUSCULAR RADIATION OR PARTICLE BOMBARDMENT; TREATING RADIOACTIVELY CONTAMINATED MATERIAL; DECONTAMINATION ARRANGEMENTS THEREFOR
    • G21F9/00Treating radioactively contaminated material; Decontamination arrangements therefor
    • G21F9/04Treating liquids
    • G21F9/06Processing
    • G21F9/16Processing by fixation in stable solid media
    • G21F9/162Processing by fixation in stable solid media in an inorganic matrix, e.g. clays, zeolites
    • 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
    • B01J2219/00686Automatic
    • B01J2219/00689Automatic using computers
    • 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
    • B01J2219/00695Synthesis control routines, e.g. using computer programs
    • 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
    • B01J2219/007Simulation or vitual synthesis
    • 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
    • B01J2219/00707Processes involving means for analysing and characterising the products separated from the reactor apparatus
    • 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
    • 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
    • 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
    • B01J2219/0075Metal based compounds
    • 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
    • B01J2219/0075Metal based compounds
    • B01J2219/00752Alloys
    • 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
    • B01J2219/0075Metal based compounds
    • B01J2219/00754Metal oxides
    • CCHEMISTRY; METALLURGY
    • C40COMBINATORIAL TECHNOLOGY
    • C40BCOMBINATORIAL CHEMISTRY; LIBRARIES, e.g. CHEMICAL LIBRARIES
    • C40B30/00Methods of screening libraries
    • C40B30/08Methods of screening libraries by measuring catalytic activity
    • CCHEMISTRY; METALLURGY
    • C40COMBINATORIAL TECHNOLOGY
    • C40BCOMBINATORIAL CHEMISTRY; LIBRARIES, e.g. CHEMICAL LIBRARIES
    • C40B40/00Libraries per se, e.g. arrays, mixtures
    • C40B40/18Libraries containing only inorganic compounds or inorganic materials

Landscapes

  • Chemical & Material Sciences (AREA)
  • Organic Chemistry (AREA)
  • Physics & Mathematics (AREA)
  • Engineering & Computer Science (AREA)
  • General Engineering & Computer Science (AREA)
  • High Energy & Nuclear Physics (AREA)
  • Inorganic Chemistry (AREA)
  • Chemical Kinetics & Catalysis (AREA)
  • Analysing Materials By The Use Of Radiation (AREA)
  • Catalysts (AREA)
  • Organic Low-Molecular-Weight Compounds And Preparation Thereof (AREA)
  • Management, Administration, Business Operations System, And Electronic Commerce (AREA)
  • Adhesives Or Adhesive Processes (AREA)
ES01401355T 2000-06-09 2001-05-23 Procedimiento de selección de nuevos materiales por estimación de la actividad catalítica o la aptitud para el almacenamiento de los radioelementos Expired - Lifetime ES2383513T3 (es)

Applications Claiming Priority (2)

Application Number Priority Date Filing Date Title
FR0007473 2000-06-09
FR0007473A FR2810112B1 (fr) 2000-06-09 2000-06-09 Conception de nouveaux materiaux dont l'usage fait intervenir une liaison chimique au moyen descripteur de ladite liaison

Publications (1)

Publication Number Publication Date
ES2383513T3 true ES2383513T3 (es) 2012-06-21

Family

ID=8851184

Family Applications (1)

Application Number Title Priority Date Filing Date
ES01401355T Expired - Lifetime ES2383513T3 (es) 2000-06-09 2001-05-23 Procedimiento de selección de nuevos materiales por estimación de la actividad catalítica o la aptitud para el almacenamiento de los radioelementos

Country Status (7)

Country Link
EP (1) EP1161990B1 (enExample)
JP (1) JP5244276B2 (enExample)
AT (1) ATE547172T1 (enExample)
CA (1) CA2349699A1 (enExample)
DK (1) DK1161990T3 (enExample)
ES (1) ES2383513T3 (enExample)
FR (1) FR2810112B1 (enExample)

Families Citing this family (1)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
JP2003053197A (ja) * 2001-08-09 2003-02-25 Inst Fr Petrole 化学結合のデスクリプタを用いて前記化学結合を生じさせる使用法を有する新規物質の設計

Family Cites Families (5)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
JP3378332B2 (ja) * 1994-01-12 2003-02-17 株式会社東芝 材料設計支援システム及び材料設計支援方法
WO1998006550A1 (en) * 1996-08-08 1998-02-19 Bridgestone Corporation Method of designing multicomponent material, optimization analyzer and storage medium on which multicomponent material optimization analysis program is recorded
JP3335881B2 (ja) * 1996-08-13 2002-10-21 株式会社東芝 材料設計支援システム、およびコンピュータシステムに系の安定構造や動的挙動を原子や分子レベルで解析させこれにより材料の設計支援を行うためのコンピュータプログラムを格納した記憶媒体
FR2758278B1 (fr) * 1997-01-15 1999-02-19 Inst Francais Du Petrole Catalyseur comprenant un sulfure mixte et utilisation en hydroraffinage et hydroconversion d'hydrocarbures
JPH10334515A (ja) * 1997-05-30 1998-12-18 Asahi Chem Ind Co Ltd 相変化型光記録媒体の設計方法

Also Published As

Publication number Publication date
DK1161990T3 (da) 2012-06-18
JP2002011354A (ja) 2002-01-15
FR2810112A1 (fr) 2001-12-14
EP1161990A1 (fr) 2001-12-12
CA2349699A1 (fr) 2001-12-09
FR2810112B1 (fr) 2007-08-03
JP5244276B2 (ja) 2013-07-24
EP1161990B1 (fr) 2012-02-29
ATE547172T1 (de) 2012-03-15

Similar Documents

Publication Publication Date Title
US6799089B2 (en) Design of new materials whose use produces a chemical bond with a descriptor of said bond
Miller et al. On the application of the minimal principle to solve unknown structures
Turner et al. Structural study of the inverted cubic phases of di-dodecyl alkyl-β-D-glucopyranosyl-rac-glycerol
JP5055556B2 (ja) ハイブリッドgaによる複数パラメータの最適化方法、パターンマッチングによるデータ解析方法、放射線回折データに基づく物質構造の推定方法、ならびに関連するプログラム、記録媒体および各種装置
Turnbull Phase changes
Burns Mineralogical applications of crystal field theory
Rodriguez et al. Interaction of SO2 with MgO (100) and Cu/MgO (100): Decomposition Reactions and the Formation of SO3 and SO4
Christmann Introduction to surface physical chemistry
US8725482B2 (en) Screening metal organic framework materials
Hormozi et al. Fractional quantum Hall effect of lattice bosons near commensurate flux
KVAMME et al. Molecular dynamics simulations of PVP kinetic inhibitor in liquid water and hydrate/liquid water systems
Yethiraj et al. Square‐well chains: Bulk equation of state using perturbation theory and Monte Carlo simulations of the bulk pressure and of the density profiles near walls
Jameson et al. Grand canonical Monte Carlo simulations of the distribution and chemical shifts of xenon in the cages of zeolite NaA. II. Structure of the adsorbed fluid
Wengel et al. Common universality class for the three-dimensional vortex glass and chiral glass
Pasinetti et al. Entropy-driven phases at high coverage adsorption of straight rigid rods on two-dimensional square lattices
Halonen et al. Homogeneous nucleation of carbon dioxide in supersonic nozzles II: Molecular dynamics simulations and properties of nucleating clusters
Kahana et al. Active transport on disordered microtubule networks: The generalized random velocity model
ES2383513T3 (es) Procedimiento de selección de nuevos materiales por estimación de la actividad catalítica o la aptitud para el almacenamiento de los radioelementos
Fisher et al. Phase transitions in one-dimensional cluster-interaction fluids IA. Thermodynamics
Springgate et al. Lattice statistics using Toeplitz matrices
Will et al. Is there a new form of boron nitride with extreme hardness?
Ferro et al. Structure of intermetallic compounds and phases
JP2003053197A (ja) 化学結合のデスクリプタを用いて前記化学結合を生じさせる使用法を有する新規物質の設計
Pierce et al. Quantum films adsorbed on graphite: Third and fourth helium layers
Byskov et al. Sulphur bonding in transition metal sulphides and MoS2 based structures