GB0215521D0 - Analysis of atomic and molecular collisions - Google Patents

Analysis of atomic and molecular collisions

Info

Publication number
GB0215521D0
GB0215521D0 GBGB0215521.6A GB0215521A GB0215521D0 GB 0215521 D0 GB0215521 D0 GB 0215521D0 GB 0215521 A GB0215521 A GB 0215521A GB 0215521 D0 GB0215521 D0 GB 0215521D0
Authority
GB
United Kingdom
Prior art keywords
molecule
atom
condition information
gas
collision
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.)
Ceased
Application number
GBGB0215521.6A
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.)
University of Sussex
Original Assignee
University of Sussex
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 University of Sussex filed Critical University of Sussex
Priority to GBGB0215521.6A priority Critical patent/GB0215521D0/en
Publication of GB0215521D0 publication Critical patent/GB0215521D0/en
Priority to AU2003251147A priority patent/AU2003251147A1/en
Priority to GB0315627A priority patent/GB2405226A/en
Priority to PCT/GB2003/002856 priority patent/WO2004006138A2/en
Ceased 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
    • G16C10/00—Computational theoretical chemistry, i.e. ICT specially adapted for theoretical aspects of quantum chemistry, molecular mechanics, molecular dynamics or the like

Landscapes

  • Engineering & Computer Science (AREA)
  • Computing Systems (AREA)
  • Theoretical Computer Science (AREA)
  • Physics & Mathematics (AREA)
  • Health & Medical Sciences (AREA)
  • General Health & Medical Sciences (AREA)
  • Spectroscopy & Molecular Physics (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Analysing Materials By The Use Of Radiation (AREA)
  • Management, Administration, Business Operations System, And Electronic Commerce (AREA)

Abstract

The components of a non-equilibrium gas to be analysed are identified, and the initial distribution of the populations of each component among rotational and vibrational quantum states provided together with the initial conditions of the gas. Initial condition information for each atom or molecule is stored in respective arrays associated with each component of the gas (step 1). A collision frequency and total number of collisions to be considered is specified. A collision to be analysed is identified by randomly selecting a pair of atoms or molecules (but weighted with respect to the probability of a collision between that pair of atoms/molecules occurring in the system) (step 3). The initial condition information for each atom or molecule is then used to determine the final post-collisional condition of each colliding atom or molecule (steps 7-15) using the angular momentum method as described herein. The final rotational and vibrational quantum states, angular momentum and recoil velocity for each atom or molecule are determined and used to update the corresponding values stored in the arrays of the initial condition information (step 17). The analysis is repeated until each atom or molecule has undergone the number of collisions it would be expected to undergo before the system reaches equilibrium (step 19).
GBGB0215521.6A 2002-07-04 2002-07-04 Analysis of atomic and molecular collisions Ceased GB0215521D0 (en)

Priority Applications (4)

Application Number Priority Date Filing Date Title
GBGB0215521.6A GB0215521D0 (en) 2002-07-04 2002-07-04 Analysis of atomic and molecular collisions
AU2003251147A AU2003251147A1 (en) 2002-07-04 2003-07-03 Analysis of atomic and molecular collisions
GB0315627A GB2405226A (en) 2002-07-04 2003-07-03 Analysis of Atomic and Molecular Collisions
PCT/GB2003/002856 WO2004006138A2 (en) 2002-07-04 2003-07-03 Analysis of atomic and molecular collisions

Applications Claiming Priority (1)

Application Number Priority Date Filing Date Title
GBGB0215521.6A GB0215521D0 (en) 2002-07-04 2002-07-04 Analysis of atomic and molecular collisions

Publications (1)

Publication Number Publication Date
GB0215521D0 true GB0215521D0 (en) 2002-08-14

Family

ID=9939856

Family Applications (2)

Application Number Title Priority Date Filing Date
GBGB0215521.6A Ceased GB0215521D0 (en) 2002-07-04 2002-07-04 Analysis of atomic and molecular collisions
GB0315627A Withdrawn GB2405226A (en) 2002-07-04 2003-07-03 Analysis of Atomic and Molecular Collisions

Family Applications After (1)

Application Number Title Priority Date Filing Date
GB0315627A Withdrawn GB2405226A (en) 2002-07-04 2003-07-03 Analysis of Atomic and Molecular Collisions

Country Status (3)

Country Link
AU (1) AU2003251147A1 (en)
GB (2) GB0215521D0 (en)
WO (1) WO2004006138A2 (en)

Families Citing this family (5)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
CN101971682B (en) * 2008-03-14 2013-12-25 艾利森电话股份有限公司 Method and arrangement for prioritising channel allocation
CN101866386B (en) * 2010-06-25 2012-04-18 杭州维肖软件科技有限公司 Flexible body bump processing method based on energy balance
CN102543240A (en) * 2012-01-09 2012-07-04 电子科技大学 Collision pair selection method based on Takizuba and Abe models
CN113724801A (en) * 2021-08-31 2021-11-30 中国恩菲工程技术有限公司 Method for analyzing decomposition reaction
CN114491962B (en) * 2021-12-30 2024-08-06 中国航天空气动力技术研究院 High-temperature unbalanced diatomic gas thermophysical property calculation method and database generation method

Family Cites Families (1)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US5377129A (en) * 1990-07-12 1994-12-27 Massachusetts Institute Of Technology Particle interaction processing system

Also Published As

Publication number Publication date
WO2004006138A3 (en) 2004-07-29
GB0315627D0 (en) 2003-08-13
AU2003251147A1 (en) 2004-01-23
GB2405226A (en) 2005-02-23
WO2004006138A2 (en) 2004-01-15

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Legal Events

Date Code Title Description
AT Applications terminated before publication under section 16(1)