CN105572159A - Molecular dynamic and partial discharge-based SF6 decomposition analysis method - Google Patents

Molecular dynamic and partial discharge-based SF6 decomposition analysis method Download PDF

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Publication number
CN105572159A
CN105572159A CN201510981893.7A CN201510981893A CN105572159A CN 105572159 A CN105572159 A CN 105572159A CN 201510981893 A CN201510981893 A CN 201510981893A CN 105572159 A CN105572159 A CN 105572159A
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molecule
decomposition
molecular
solenoid valve
gas
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CN105572159B (en
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陈学军
张趁华
李晓梅
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Putian University
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Putian University
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    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N25/00—Investigating or analyzing materials by the use of thermal means
    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N27/00—Investigating or analysing materials by the use of electric, electrochemical, or magnetic means
    • G01N27/92—Investigating or analysing materials by the use of electric, electrochemical, or magnetic means by investigating breakdown voltage

Abstract

The present invention discloses a molecular dynamic and partial discharge-based SF6 decomposition analysis method comprising the following steps: 1, building a SF6 molecular simulation model; 2, calculating SF6 molecule energy change delta U before and after SF6 molecule location updating; 3, if the delta U is less than or equal to 0, updating SF6 molecule location, and transferring to step 5, and if the delta U is greater than 0, then transferring to step 4; 4, determining whether boundary conditions are met, if the boundary conditions are met, updating the SF6 molecule location, and if the boundary conditions are not met, do not performing SF6 molecule location updating; 5, performing statistics of SF6 molecule thermodynamic properties after the location updating; and 6, determining whether the SF6 molecule thermodynamic properties change, and if the SF6 molecule thermodynamic properties change, outputting the SF6 molecule thermodynamic properties after the location updating. A discharge mechanism and a decomposition process of SF6 gas can be disclosed and analyzed from macroscopic and microcosmic two aspects, and SF6 gas decomposition research efficiency is improved.

Description

A kind of based on SF under molecular dynamics and shelf depreciation 6decomposition analysis method
Technical field
The present invention relates to gas analysis field, particularly relate to a kind of based on SF under molecular dynamics and shelf depreciation 6decomposition analysis method.
Background technology
SF 6gas is T&B, and it is that France two chemist Moissan and Lebeau are in the artificial inert gas of synthesis in 1900.Sulfur hexafluoride has good electrical insulation properties and the arc extinction performance of excellence.Its electric strength is 2.5 times of nitrogen under same pressure, and voltage breakdown is 2.5 times of air, and arc extinguishing ability is 100 times of air, is a kind of UHV (ultra-high voltage) insulating dielectric materials of new generation be better than between air and oil.Sulfur hexafluoride with its good insulating property and arc extinction performance, as: isolating switch, high-tension transformer, sealing gland close combined capacitor, hv transmission line, mutual inductor etc.
SF 6gas is under the effect of shelf depreciation, and generation decomposed and produce subfluoride, O2 or H2O in these sub-stable materials and equipment reacts products such as generating SO2F2, SOF4, SOF2, SO2, H2S, S2F10O, HF, CF4 further.Wherein, acidic materials SO2, H2S, HF have corrosive attack, destroy material and cause dielectric strength to decline, and then cause industrial accident.Detect gas discharge rule normally to adopt laboratory facilities to study, existing SF 6gas experiment method can measure the disruptive strength of gas under certain condition, but cannot disclose SF accurately 6the discharge mechanism of gas, also cannot analyze SF exactly 6the decomposable process of gas.
Summary of the invention
For solving the problems of the technologies described above, the invention provides a kind of based on SF under molecular dynamics and shelf depreciation 6decomposition analysis method, for disclosing SF 6the discharge mechanism Sum decomposition process of gas, and improve SF 6gas disaggregate approach efficiency.
The present invention is achieved in that
A kind of based on SF under molecular dynamics and shelf depreciation 6decomposition analysis method, comprising:
Step one, structure SF 6molecular simulation model, setting SF 6initial position and test starting condition;
Step 2, calculating SF 6sF in molecular simulation model 6before and after molecular position upgrades, SF 6the energy variation △ U of molecule;
If the described energy variation △ U of step 3 is less than or equal to 0, then upgrade SF 6sF in molecular simulation model 6the position of molecule, and go to step five; If described energy variation △ U is greater than 0, then go to step four;
Step 4, judge whether meet preset boundary condition, if meet boundary condition, then upgrade SF 6sF in molecular simulation model 6the position of molecule, if do not meet boundary condition, does not then carry out SF 6molecular position upgrades;
SF after step 5, statistics location updating 6the macroscopic property of molecule;
Step 6, judge SF 6whether the macroscopic property of molecule changes, and if so, then outgoing position upgrades rear SF 6macroscopic property; If not, then step 2 is jumped to.
Further, described test starting condition comprises SF 6carry out parameter and the O of shelf depreciation 2, H 2the concentration of O.
Further, the SF added up in described step 5 6the macroscopic property of molecule comprises: temperature, speed, acceleration, bonding force, bond energy and temperature, speed, acceleration, bonding force, the time dependent corresponding relation of bond energy.
Further, also comprise after step 6:
Step 7, the test starting condition described in step one is put on SF 6decompose proving installation, to SF 6gas carries out shelf depreciation decomposition run, described SF 6decompose proving installation and comprise master control PC, o controller and gas exoelectrical reaction tank; Described gas discharge retort is cylindrical seal stainless steel tank body, and tank body is provided with the vacuum pump, pressure vacuum gauge, high-pressure discharging device, the SF that are communicated in tank interior 6air intake opening, oxygen air intake opening and humidification port, described SF 6air intake opening is connected to SF by the first solenoid valve 6gas tank, oxygen air intake opening is connected to oxygen tank by the second solenoid valve, and humidification port is connected to humidifier by the 3rd solenoid valve; Described first solenoid valve, the second solenoid valve, the 3rd solenoid valve, humidifier, high-pressure discharging device, vacuum pump and pressure vacuum gauge are connected to described o controller, and o controller is connected to described master control PC;
Step 8, analyses and comparison adopt SF 6molecular simulation model carries out simulating obtained SF 6macroscopic property, and in step 7, adopt the SF obtained described in shelf depreciation decomposition run 6decomposition product, sets up SF 6macroscopic property and SF 6corresponding relation between decomposition product.
Beneficial effect of the present invention is: the present invention is based on SF under molecular dynamics and shelf depreciation 6decomposition analysis method is by building SF 6molecular simulation model, when gas discharge, investigates electric field and thermal field factor, to SF from molecular structure angle 6the impact of gas decomposable process, thus disclose SF from microcosmic angle 6the discharge mechanism Sum decomposition process of gas, and improve SF 6gas disaggregate approach efficiency.
Accompanying drawing explanation
Fig. 1 is based on molecular dynamics simulation SF6 analysis process figure in embodiment of the present invention;
Fig. 2 is SF involved in embodiment of the present invention 6decompose the structural representation of proving installation.
Label declaration:
1, master control PC; 2, o controller; 3, gas discharge retort;
4, pressure vacuum gauge; 5, the second solenoid valve; 6, the first solenoid valve;
7, the 3rd solenoid valve; 8, vacuum pump; 9, high-pressure discharging device;
10, humidifier; 11, heating arrangement; 12, sensor access port;
13, sensor.
Embodiment
By describing technology contents of the present invention, structural attitude in detail, realized object and effect, accompanying drawing is coordinated to be explained in detail below in conjunction with embodiment.
The invention discloses a kind of based on SF under molecular dynamics and shelf depreciation 6decomposition analysis method, comprises and builds SF6 molecular simulation model, and setting SF 6initial position and test starting condition, wherein, described test starting condition comprises SF 6carry out parameter and the O of shelf depreciation 2, H 2the concentration of O.And dry run is carried out to SF6 molecular simulation model.Refer to Fig. 1, the simulation process of SF6 molecular simulation model comprises:
Build SF 6molecular simulation model, and setting SF 6initial position and test starting condition; And certainty annuity starting condition and boundary condition, seletion calculation acts on all SF 6power on molecule, change the speed of all SF6 molecules to guarantee that aggregate momentum is for zero, and speed of demarcating is to make mean kinetic energy for designated value.Wherein, present embodiment is with SF 6molecule construction analogy model, carries out analog computation, SF 6potential-energy function model is that the Gauss model improved builds, and dynamics simulation adopts cannoncial system (NVT), adopts the COMPASS field of force, initial temperature: 150K, parallel off temperature 750K.
Random mobile SF 6sF in molecular simulation model 6molecule, to new position, namely upgrades SF 6the position of molecule, and calculate SF 6the energy variation △ U of system before and after molecule to new position, energy variation △ U is by solving SF 6molecule newton's equation of motion integration, selects algorithm suitable at present, assuming that SF 6the physical quantitys such as molecular position, speed and acceleration, carry out solving obtaining.
Relatively SF 6energy variation after molecule moves and boundary condition determine whether accept SF 6molecule moves.
Then the macroscopic property of statistical system and other physical quantity, if statistical property change, does not reach cycling condition, then continue loop program and run, otherwise simulation terminates.The macroscopic property added up and physical quantity comprise: temperature, speed, acceleration, bonding force, bond energy and temperature, speed, acceleration, bonding force, the time dependent corresponding relation of bond energy.
Present embodiment is by building SF 6molecular simulation model, when gas discharge, investigates electric field and thermal field factor, to SF from molecular structure angle 6the impact of gas decomposable process, thus disclose SF from microcosmic angle 6the discharge mechanism Sum decomposition process of gas, and improve SF 6gas disaggregate approach efficiency.
Further, present embodiment is also in conjunction with above-mentioned SF 6molecular simulation modeling process and SF 6decomposition analysis test is to SF 6decompose and study.
At above-mentioned SF 6in molecular simulation modeling, change SF 6the test starting condition of molecular simulation model, namely changes SF 6various discharging condition and O 2, H 2the concentration of O, carries out SF 6molecular simulation modeling, analyzes SF6 decomposition mechanism and O 2and H 2mechanism under the effect of the influence factors such as O.And at SF 6sF in molecular simulation model 6when the macroscopic property of molecule changes, same condition (i.e. described test starting condition) is put on SF 6decompose proving installation to SF 6test.
Refer to Fig. 2, described SF 6decompose proving installation and comprise master control PC 1, o controller 2 and gas exoelectrical reaction tank 3.Described gas discharge retort 3 is cylindrical seal stainless steel tank body, and tank body is provided with the vacuum pump 8, pressure vacuum gauge 4, high-pressure discharging device 9, the SF that are communicated in tank interior 6air intake opening, oxygen air intake opening and humidification port, described SF 6air intake opening is connected to SF by the first solenoid valve 6 6gas tank, oxygen air intake opening is connected to oxygen tank by the second solenoid valve 5, and humidification port is connected to humidifier 10 by the 3rd solenoid valve 7.And described first solenoid valve 6, second solenoid valve 5, the 3rd solenoid valve 7, humidifier 10, high-pressure discharging device 9, vacuum pump 8 and pressure vacuum gauge 4 are all connected to described o controller 2, and o controller is connected to described master control PC.
Also be provided with sensor access port 12 at the sidewall of gas discharge retort 3, sensor 13 accesses in gas discharge retort 3 from described sensor access port 12; Also be provided with heating arrangement 11 in the bottom in gas discharge retort 3, described sensor 13 and heating arrangement 11 are all connected to o controller 2.
Wherein, SF is provided with in described master control PC 1 6discharge mechanism test control program, master control PC is by o controller 2 control SF 6discharge parameter, the parameter of control comprises oxygen level, temperature, humidity, pressure etc.
In the present embodiment, described high-pressure discharging device 9 comprises electrode 93, high-voltage conductive rod 92 and high-voltage power supply 91, described electrode 93 is fixed on the sidewall of gas discharge retort 3 and extends in tank body, electrode 93, high-voltage conductive rod 92 are connected successively with high-voltage power supply 91, are provided with high-tension insulating bushing 94 between electrode 93 and gas discharge retort 3.Wherein, described high-voltage power supply 91 is numerical control adjustable high-voltage electricity cabinet.
Described test starting condition puts on the SF in gas discharge retort 3 by master control PC 1 and o controller 2 6.
SF is adopted by analysing and comparing 6molecular simulation model carries out simulating obtained SF 6macroscopic property, with employing SF 6decompose the SF that proving installation carries out obtaining described in shelf depreciation decomposition run 6decomposition product, sets up SF 6macroscopic property and SF 6corresponding relation between decomposition product.Present embodiment adopts theoretical binding tests technique study, and it not only can obtain systematic parameter to SF 6the impact of process gas discharge and mechanism of action, and described SF 6decompose proving installation can also optimize discharge system and realize controlling process gas discharge, and theoretical experiment condition is directly put on test unit carry out actual conditions analysis.By contrast SF 6macroscopic property and SF 6corresponding relation between decomposition product, sets up SF 6decomposing micro-variations (instant heating change in mechanics) and macroscopical corresponding relation changed between (condition when namely decomposing and corresponding product) in change procedure, therefore, by SF 6molecular simulation model carries out analog computation, can draw SF 6the actual macroscopic view change of molecule, namely actual decomposition change, combines from the two angle of micro-mobility protocols and discloses SF 6the discharge mechanism Sum decomposition process of gas, substantially increases SF 6the Efficiency of gas discharge mechanism, for accurately grasping SF 6the discharge mechanism Sum decomposition process of gas provides valuable Data support.
The foregoing is only embodiments of the invention; not thereby the scope of the claims of the present invention is limited; every utilize instructions of the present invention and accompanying drawing content to do equivalent structure or equivalent flow process conversion; or be directly or indirectly used in other relevant technical fields, be all in like manner included in scope of patent protection of the present invention.

Claims (4)

1. one kind based on SF under molecular dynamics and shelf depreciation 6decomposition analysis method, is characterized in that, comprising:
Step one, structure SF 6molecular simulation model, setting SF 6initial position and test starting condition;
Step 2, calculating SF 6sF in molecular simulation model 6before and after molecular position upgrades, SF 6the energy variation △ U of molecule;
If the described energy variation △ U of step 3 is less than or equal to 0, then upgrade SF 6sF in molecular simulation model 6the position of molecule, and go to step five; If described energy variation △ U is greater than 0, then go to step four;
Step 4, judge whether meet preset boundary condition, if meet boundary condition, then upgrade SF 6sF in molecular simulation model 6the position of molecule, if do not meet boundary condition, does not then carry out SF 6molecular position upgrades;
SF after step 5, statistics location updating 6the macroscopic property of molecule;
Step 6, judge SF 6whether the macroscopic property of molecule changes, and if so, then outgoing position upgrades rear SF 6macroscopic property; If not, then step 2 is jumped to.
2. according to claim 1 based on SF under molecular dynamics and shelf depreciation 6decomposition analysis method, is characterized in that, described test starting condition comprises SF 6carry out parameter and the O of shelf depreciation 2, H 2the concentration of O.
3. according to claim 1 based on SF under molecular dynamics and shelf depreciation 6decomposition analysis method, is characterized in that, the SF added up in described step 5 6the macroscopic property of molecule comprises: temperature, speed, acceleration, bonding force, bond energy and temperature, speed, acceleration, bonding force, the time dependent corresponding relation of bond energy.
4. arbitrary described based on SF under molecular dynamics and shelf depreciation according to claims 1 to 3 6decomposition analysis method, is characterized in that, also comprises after step 6:
Step 7, the test starting condition described in step one is put on SF 6decompose proving installation, to SF 6gas carries out shelf depreciation decomposition run, described SF 6decompose proving installation and comprise master control PC, o controller and gas exoelectrical reaction tank; Described gas discharge retort is cylindrical seal stainless steel tank body, and tank body is provided with the vacuum pump, pressure vacuum gauge, high-pressure discharging device, the SF that are communicated in tank interior 6air intake opening, oxygen air intake opening and humidification port, described SF 6air intake opening is connected to SF by the first solenoid valve 6gas tank, oxygen air intake opening is connected to oxygen tank by the second solenoid valve, and humidification port is connected to humidifier by the 3rd solenoid valve; Described first solenoid valve, the second solenoid valve, the 3rd solenoid valve, humidifier, high-pressure discharging device, vacuum pump and pressure vacuum gauge are connected to described o controller, and o controller is connected to described master control PC;
Step 8, analyses and comparison adopt SF 6molecular simulation model carries out simulating obtained SF 6macroscopic property, and in step 7, adopt the SF obtained described in shelf depreciation decomposition run 6decomposition product, sets up SF 6macroscopic property and SF 6corresponding relation between decomposition product.
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Cited By (2)

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CN109359435A (en) * 2018-12-13 2019-02-19 武汉大学 A kind of SF6Gas-insulated medium crosses the method for building up in the Reax FF reaction field of force of thermal decomposition
CN111308279A (en) * 2019-11-28 2020-06-19 西安理工大学 High-voltage electrical equipment insulation strength calculation method based on gas decomposition product

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CN104749506A (en) * 2015-04-03 2015-07-01 国家电网公司 Method for calculating running electrical equipment partial discharge quantity through SF6 decomposition product content

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Cited By (3)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
CN109359435A (en) * 2018-12-13 2019-02-19 武汉大学 A kind of SF6Gas-insulated medium crosses the method for building up in the Reax FF reaction field of force of thermal decomposition
CN111308279A (en) * 2019-11-28 2020-06-19 西安理工大学 High-voltage electrical equipment insulation strength calculation method based on gas decomposition product
CN111308279B (en) * 2019-11-28 2022-04-22 西安理工大学 High-voltage electrical equipment insulation strength calculation method based on gas decomposition product

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Denomination of invention: A Decomposition Analysis Method for SF Based on Molecular Dynamics and Partial Discharge

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