3. Method Option Keywords 3-1. ATOL : Absolute convergence criteria for Newton iteration. - Default : 1.E-9 - Example : ATOL 1.E RTOL : Relativ

Size: px

Start display at page:

Download "3. Method Option Keywords 3-1. ATOL : Absolute convergence criteria for Newton iteration. - Default : 1.E-9 - Example : ATOL 1.E RTOL : Relativ"

다름 강
6 years ago
Views:

1 Oppdif - 대향류화염 (Opposed-Flow Diffusion Flames) 에서기체상들간의화학반응및연소를모 델화하기위한프로그램 OPPDIF.INP의키워드 (Keyword) 에대한설명 1. 키워드문법및사용법 1-1. 키워드의이름은반드시 CHEMKIN에정의된것을사용한다 키워드는각라인의처음에위치하여하여야하며, 최대 4자이다 키워드의값은각라인의 5번째에서 80번째사이에위치할수있다 키워드의값이두가지이상으로구성되면값사이에빈공간으로구분한다 값은정수 (Integer), 실수 (floating-point) 또는지수 (E format) 형식으로입력한다 잘못된 Keyword가사용되었다면 OPPDIF.OUT에 "ERROR...ILLEGAL KEYWORD" 가출력이되며컴파일취소가된다 주석 (Comment) 을사용하기위해서는각라인의처음에아래문자를사용한다. : 마침표 (.), 슬래쉬 (/), 느낌표 (!) 1-8. 마지막라인에는반드시 "END" 키워드가와야한다. 2. Problem type Keywords 2-1. AXIS : Radial axisymmetric coordinate system. - Default : Coordinate system is radial axisymmetric PLAN : Planar coordinate system. - Default : Coordinate system is radial axisymmetric TGIV : Energy equation is not included. User specifies a temperature profile using the TEMP keyword. - Default : None(Either TGIV or ENRG are required.) 2-4. ENRG : Energy equation is included. A temperature profile specified by the TEMP keyword will be used as an initial guess in this case. - Default : None(Either TGIV or ENRG are required.) 2-5. NOFT : Skip the fixed temperature problem and include the energy equation on the first attempt. - Default : Fixed temperature solution is obtained before adding the energy equation LINE : Linear profile used to set up initial solution estimates. - Default : PLAT 2-7. PLAT : Plateau profile used to set up initial solution estimates. - Default : PLAT

2 3. Method Option Keywords 3-1. ATOL : Absolute convergence criteria for Newton iteration. - Default : 1.E-9 - Example : ATOL 1.E RTOL : Relative convergence criteria for Newton iteration. - Default : 1.E-4 - Example : RTOL 1.E ATIM : Absolute convergence criteria for time stepping - Default : 1.E-9 - Example : ATIM 1.E RTIM : Relative convergence criteria for time stepping - Default : 1.E-4 - Example : RTIM 1.E TIME : Number of steps and time step value for time stepping for the starting procedure. - Unit : None, Second - Default : 50, 1.E-6 - Example : TIME E TIM2 : Number of steps and time step value for time stepping after adding the energy equation. - Unit : None, Second - Default : 50, 1.E-6 - Example : TIME E TRAN : Perform time-stepping only, without attempting Newton iteration for a steady solution. - Unit : None, Second - Default : A steady-state solution is attempted. - Example : TRAN E NDPR : Frequency of output printing during time integration, given as the number of time-steps. - Default : Example : NDPR 50

3 3-9. UFAC : Factor for increasing the time step when time integration proceeds without rapid changes to the solution. - Default : 2. - Example : UFAC DFAC : Factor for decreasing the time step when time integration experiences difficulties. - Default : Example : DFAC DTMN : Minimum allowable time step. - Unit : Seconds - Default : 1.E-10 - Example : DTMN 1.E DTMX : Maximum allowable time step. - Unit : Seconds - Default : 1.E-4 - Example : DTMX 1.E WDIF : Use windward differencing on convective terms in the equations. - Default : Windward differencing CDIF : Use central differencing on convective terms in the equations. - Default : Windward differencing SFLR : Floor, or minimum, value for the species mass fractions. - Default : -1.E-4 - Example : SFLR -1.E SPOS : Small positive value used to replace negative species mass fractions upon restart or regridding. - Default : 1.E-10 - Example : SPOS 1.E GFAC : Multiplying factor used to modify all gas-phase reaction rate calculated using the CHEMKIN input reaction parameters. - Default : Example : GFAC 1.1

4 3-18. IRET : Retirement period for a given time step, or number of time steps prior to increasing the step size. - Default : 50 - Example : IRET ISTP : Directs TWOPNT to take this number of initial time steps before attempting the Newton search for the steady-state solution. - Default : 0 - Example : ISTP TJAC : Retirement age for the Jacobian during the time integration. - Default : 20 - Example : TJAC KOUT : List of species names to be included in the text output. - Default : All species printed - Example : KOUT H2 O2 H2O H OH 4. Grid Parameter Key words 4-1. NPTS : Number of initial mesh points. This specification will be ignored if GRID keywords are included. - Default : 6 - Example : NPTS GRID : Location of an initial mesh point. NOTE : GRID keyword lines must be in order of GRID location value. - Units : cm - Default : None, NPTS=6 assumed if no GRID keywords are included. - Example : GRID GRAD : Parameter that controls the degree of mesh adaptation based on the first gradient in the solution. - Default : Example : GRAD CURV : Parameter that controls the degree of mesh adaptation based on the second gradient, or curvature, in the solution. - Default : Example : CURV 0.7

5 4-5. NTOT : Minimum number of grid points allowed for this job. - Default : NTOT=maximum grid dimension set by OPPDIF driver program - Example : NTOT NADP : Number of mesh points that TWOPNT can add during each grid refinement. - Default : 10 - Example : NADP XEND : Physical length of the computational domain, or value of x at the end of the domain. NOTE : The fuel inlet is assumed to be located at x = 0. - Units : cm - Default : None(XEND keyword is required) - Example : XEND XCEN : Center of the mixing region, used in defining the initial profile for the LINE or PLAT options. - Units : cm - Default : XEND * Example : XCEN WMIX : Width of the mixing region, used in defining the initial profile for the LINE or PLAT options. - Units : cm - Default : XEND * Example : WMIX Flame Definition Keywords 5-1. VFUE : Fuel inlet velocity(at x = 0) - Units : cm/s - Default : None(VFUE must be specified) - Example : VFUE VOXI : Oxidizer inlet velocity(at x = XEND) - Units : cm/s - Default : None(VOXI must be specified) - Example : VOXI 100.0

6 5-3. AFUE : Radial gradient in fuel inlet velocity(at x = 0) - Units : l/s - Default : 0. - Example : AFUE AOXI : Radial gradient in oxidizer inlet velocity(at x = XEND) - Units : l/s - Default : 0. - Example : AOXI TFUE : Fuel inlet temperature(at x = 0) - Units : Kelvin - Default : None(TFUE must be specified) - Example : TFUE TOXI : Oxidizer inlet temperature(at x = XEND) - Units : Kelvin - Default : None(TOXI must be specified) - Example : TOXI TMAX : Maximum temperature of use with profiles defined by the LINE or PLAT options. - Units : Kelvin - Default : Example : TMAX PRES : The initial pressure of the gas mixture. - Units : atmospheres - Default : 1. - Example : PRES FUEL : Species name and the number of moles of that species in the fuel mixture. The mole fractions of the species will be normalized from the input mole quantities, so the absolute magnitudes of the input quantities are unimportant, as long as they are consistent for all FUEL entries. - Default : None(Species input is required) - Example : FUEL H OXID : Species name and the number of moles of that species in the oxidizer mixture. The mole fractions of the species will be normalized

7 from the input mole quantities, so the absolute magnitudes of the input quantities are unimportant, as long as they are consistent for all OXID entries. - Default : None(Species input is required) - Example : OXID O PROD : Species name and the number of moles of that species in the products of combustion of the fuel and oxidizer in stoichiometric proportions. The product mixture is used to define the initial profiles specified using the LINE or PLAT keywords. The mole fractions of the species will be normalized from the input mole quantities, so the absolute magnitudes of the input quantities are unimportant, as long as they are consistent for all PROD entries. - Default : None(Species input is required) - Example : PROD H2O TEMP : Specifies and initial(for ENRG) or given(for TGIV) temperature profile in pairs of grid location and temperature(x, T) - Units : cm, Kelvin - Default : A linear temperature profile is assumed between the TOXI and TFUE values. - Example : TEMP USTG : On a restart, use the given temperature profile, not the temperature from the solution on the restart file. - Default : The temperature profile on the restart file will be used. 6. Transport Option Keywords MULT : Use the multicomponent formula for diffusion velocities - Default : Use the mixture-averaged formula(mix) 6-2. MIX : Use the mixture-averaged formula for diffusion velocities. - Default : Use the mixture-averaged formula TDIF : Include thermal diffusion in the calculation of diffusion velocities. - Default : Thermal diffusion is neglected

8 7. Sensitivity Option Keywords ASEN : Inclusion of this Keyword causes all the first-order sensitivity coefficients with respect to the rate constants to be determined. - Default : No sensitivities computed. - Restart : Can be changed HSEN : Inclusion of this Keyword causes all the first order sensitivity coefficients with respect to the species heats of formation to be determined. - Default : No sensitivities computed. - Restart : Can be changed. 8. Printing and Restarting Keywords PRNT : This integer value controls the level of printing and diagnostics from TWOPNT. A value of 0, 1, and 2 provide increasing amounts of text output. - Default : 1 - Example : PRNT RSTR : Read a solution from the restart file(rest.bin) - Default : The program does not look for a restart file JJRG : Perform a regrid operation on the restart solution prior to attempting to solve the new problem. Use the specified number of points for the new mesh. The new grid is adapted to the temperature profile according to the weighting parameters PCAD and RGTC - Default : 40 - Example : JJRG PCAD : Specifies the fraction of available mesh points to be used for adapting the mesh to the temperature profile in a regrid operation. The value must be greater than zero and less than one. If the value is zero, then a regrid will produce a uniform grid. - Default : Example : PCAD RGTC : Specifies the ratio of weighting for adaptation of the grid by first gradient vs. curvature (or second derivative) in the temperature profile. Theoretically, there is no limit on this ratio, but values

9 greater than or equal to one are recommended, because resolving to curvature is usually less important than gradient. - Default : Example : RGTC END : This keyword must appear on the last line of the input data. 도스에서 CHEMKIN 실행하기 - 아래의예제는 CHEMKIN의 Application중 OPPDIF에대해서설명을한것이다. OPPDIF는 therm.dat 및 tran.dat 파일을필요로하지만 Aurora, Surf, Equil등의 Application은 tran.dat가필요치않는다. 1. 예제로실행할디렉토리를만들고필요한파일을복사를한다. > cd C:\temp (temp 디렉토리로이동 ) > md chemkin (Chemkin 디렉토리생성 ) > cd chemkin (Chemkin 디렉토리로이동 ) > md Auto (Auto 디렉토리생성 ) > md Manual (Manual 디렉토리생성 ) 현재경로 : "C:\temp\Chemkin" 필요한파일 (*.inp, *.dat, *.mak) 을해당디렉토리로복사한다. > copy C:\Chemkin36\samples\oppdif\h2_air\*.inp Auto > copy C:\Chemkin36\samples\oppdif\h2_air\*.dat Auto > copy C:\Chemkin36\samples\oppdif\h2_air\*.mak Auto > copy C:\Chemkin36\samples\oppdif\h2_air\*.inp Manual > copy C:\Chemkin36\samples\oppdif\h2_air\*.dat Manual 2. 자동실행방법 (Make(.mak) 파일사용 ) 2-1. 디렉토리이동. > cd Auto 현재경로 : "C:\temp\Chemkin\Auto" 2-2. h2_air_pc.mak 를편집한다.(CHEMKINHOME 의경로를바꾼다.) 먼저 h2_air_pc.mak 의읽기전용속성을해제하여준다. CHEMKINHOME =..\..\ Case 1

10 CHEMKINHOME = C:\CHEMKIN Case 2 CHEMKINHOME의경로를변경한이유. 현재경로는 "C:\temp\Chemkin\Auto" 이다. 그러나 "Case 1" 에따르면, CHEMKINHOME의경로는 "C:\" 가되기때문이다. 그러므로, CHEMKINHOME의경로를 "Case 2" 와같이 "C:\CHEMKIN36" 으로바꾸어준다 Make(.mak) 파일실행 > nmake -f h2_air_pc.mak > h2_air_pc.log nmake(nmake.exe) 위치 : "C:\Program Files\Microsoft Visual Studio\VC98\BIN" 다음과같은파일들이생성된다. - chem.asc : CHEMKIN Gas-phase linking - chem.out : chem.inp의컴파일결과파일 - h2_air_pc.log : 컴파일로그파일 - oppdif.out : oppdif.inp의컴파일결과파일 - oppdif_post.out : oppdif_post.inp의컴파일결과파일 - recov.bin : Recover 파일 - save.bin : Data 파일 - tran.asc : Transport linking - tran.out : tran.dat의컴파일결과파일 * 주의 : 현재디렉토리에 therm.dat, tran.dat 파일이존재하지않으면 " 파일이존재하지않습니다." 라는메세지를출력하고 C:\chemkin36\data\therm.dat, tran.dat의파일을이용하여컴파일을하게된다. 3. 수동실행방법 3-1. Run Gas-phase CHEMKIN Interpreter. > cd C:\temp\Chemkin\Manual 변경된경로 : "C:\temp\Chemkin\Manual" > chem -i chem.inp -o chem.out -d therm.dat chem(chem.exe) 위치 : "C:\chemkin36\bin" -i : Input file name

11 -o : Output file name -d : Data file name 아래의파일들이생성된다. - chem.out - chem.asc 3-2. Run transport > tran -o tran.out -d tran.dat tran(tran.exe) 위치 : "C:\chemkin36\bin" 아래의파일들이생성된다. - tran.out - tran.asc 3-3. Run opposed-flow diffusin flame > oppdif -i oppdif.inp -o oppdif.out -b save.bin oppdif(oppdif.exe) is located in "C:\chemkin36\bin" -b : Output binary data file name(calculation result) 아래의파일들이생성된다. - oppdif.out - recov.bin - save.bin 3-4. 정리. > cd C:\temp\Chemkin\Manual > chem -i chem.inp -o chem.out -d therm.dat > tran -o tran.out > oppdif -i oppdif.inp -o oppdif.out -b save.bin Auto Batch 사용하여 Case별로자동실행하기 1. 아래와같은경로에파일을복사한다. 원본파일경로 : C:\Chemkin36\Sample\oppdif\h2_air Test할경로 : C:\temp\chemkin\BATCH 필요파일 : chem.inp, oppdif_01.inp, oppdif_02.inp, therm.dat, tran.dat oppdif.inp 를 oppdif_01.inp, oppdif_02.inp로복사를한다. 주의사항 : 파일명에 "-" 을넣지않는다. chem.exe, tran.exe, oppdif.exe 실행시파일명에 "-" 을만나면컴파일옵션으로인식을하기때문. "-" 다음의문자를

12 2. Batch 파일의구성 chem, tran, oppdif를실행하고연산을시킨다 > chem -i chem.inp -o chem_01.out -d therm.dat > tran -o tran_01.out -d tran.dat > oppdif -i oppdif_01.inp -o oppdif_01.out -b save-01.bin 2-2. oppdif_02.inp도위와같은방법으로실행시켜준다. > chem -i chem.inp -o chem_02.out -d therm.dat > tran -o tran_02.out -d tran.dat > oppdif -i oppdif_02.inp -o oppdif_02.out -b save-02.bin 2-3. 생성되는파일중링크파일 (.asc), recov.bin 파일을삭제한다. > del *.asc > del recov.bin 2-4. 원본파일과결과파일을구분을하여주기위해서 "OUT" 이라는디렉토리를만들어결과파일을이동을시켜준다. ( 주의 : 이동시 "OUT" 디렉토리안에동일한파일명이있으면덮어써린다.) > md out > move *.out out > move *.bin out 3. Batch 구성보기 (run-batch.bat). del run-result.txt echo ===================== 01 =========================== chem -i chem.inp -o chem_01.out -d therm.dat tran -o tran_01.out -d tran.dat oppdif -i oppdif_01.inp -o oppdif_01.out -b save_01.bin echo ===================== 02 =========================== chem -i chem.inp -o chem_02.out -d therm.dat tran -o tran_02.out -d tran.dat oppdif -i oppdif_02.inp -o oppdif_02.out -b save_02.bin echo =================================================== del recov.bin del *.asc md out move *.out out move *.bin out

13 >> run-result.tx 4. Run-result.txt 보기 ===================== 01 ========================== Total CPUtime (sec): 0.27 Total CPUtime (sec): 0.11 Total CPUtime (sec): ===================== 02 ========================== Total CPUtime (sec): 0.28 Total CPUtime (sec): 0.11 Total CPUtime (sec): =================================================== C:\temp\chemkin\BATCH\chem_01.out = C:\temp\chemkin\BATCH\out\chem_01.out [ok] C:\temp\chemkin\BATCH\chem_02.out = C:\temp\chemkin\BATCH\out\chem_02.out [ok] C:\temp\chemkin\BATCH\tran_01.out = C:\temp\chemkin\BATCH\out\tran_01.out [ok] C:\temp\chemkin\BATCH\tran_02.out = C:\temp\chemkin\BATCH\out\tran_02.out [ok] C:\temp\chemkin\BATCH\oppdif_01.out = C:\temp\chemkin\BATCH\out\oppdif_01.out [ok] C:\temp\chemkin\BATCH\oppdif_02.out = C:\temp\chemkin\BATCH\out\oppdif_02.out [ok] C:\temp\chemkin\BATCH\save_01.bin = C:\temp\chemkin\BATCH\out\save_01.bin [ok] C:\temp\chemkin\BATCH\save_02.bin = C:\temp\chemkin\BATCH\out\save_02.bin [ok]

14 * Run batch 파일 del run-result.txt echo ===================== 01 ========================== chem -i chem.inp -o chem_01.out -d therm.dat tran -o tran_01.out -d tran.dat oppdif -i oppdif_01.inp -o oppdif_01.out -b save_01.bin echo ===================== 02 ========================== chem -i chem.inp -o chem_02.out -d therm.dat tran -o tran_02.out -d tran.dat oppdif -i oppdif_02.inp -o oppdif_02.out -b save_02.bin echo =================================================== del recov.bin del *.asc md out move *.out out move *.bin out

4 CD Construct Special Model VI 2 nd Order Model VI 2 Note: Hands-on 1, 2 RC 1 RLC mass-spring-damper 2 2 ζ ω n (rad/sec) 2 ( ζ < 1), 1 (ζ = 1), ( ) 1

4 CD Construct Special Model VI 2 nd Order Model VI 2 Note: Hands-on 1, 2 RC 1 RLC mass-spring-damper 2 2 ζ ω n (rad/sec) 2 ( ζ < 1), 1 (ζ = 1), ( ) 1 : LabVIEW Control Design, Simulation, & System Identification LabVIEW Control Design Toolkit, Simulation Module, System Identification Toolkit 2 (RLC Spring-Mass-Damper) Control Design toolkit LabVIEW