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用aurora计算了一个算例,但老师要我自己编程调用其中库函数再次计算这个算例。
好久都没有弄好,有没有哪位高手帮帮忙哦。有点急。
具体输入参数是(aurora.inp文件):
! This is a steady-state chemical vapor deposition problem
! for SiN Deposition in a CSTR
!
! indicate Steady-state:
STST
!
! number of PSR';s to be considered in series
NPSR 1
! INLET CONDITIONS
! residence time in seconds
! or the total flow rate in cm3/sec
TAU 0.1
SCCM 11300. !喷射速度cm3/sec
! mole fraction of reactants
REAC O2 0.33333
REAC H2 0.66667 !余氧系数1.0
! inlet temperature
! only affects the calculations when ENRG keyword is given
!TINL 298.15
!
! REACTOR CONDITIONS
!
! either calculate the temperature or keep the temp fixed
!ENRG
TGIV
! rate of heat loss through the walls (cal/mole)
!QLOS MATERIAL1
! Do you expect to be etching the bulk?
! If so the equations should be changed
!ETCH BULK1
! temperature of the reactor in Kelvin
TEMP 3504
! Pressure of reactor in atm
PRES 19.7385
! volume of the reactor in cm**3
VOL 2000.
! area in cm**2
AREA 950.
! Surface temperature, if different than the gas temperature
!TSRF MATERIAL1 3504
! TWOPNT PARAMETERS
!
! amount of printing to be done
PRNT 1
! relative and absolute error tolerances for the solution
RTOL 1.0E-8
ATOL 1.0E-20
! number of time steps and value of time step
TIM1 50 2.E-6
TIM2 50 2.E-6 !if it falls to convergence
! lower bounds for the compositional solution variables
SFLR -1.0E-5 !TWOPNT will not let the solution variables fall below their minimum bounds !during iteration
! parameters for the calculation of numerical differences
ABSL 1.0E-10 ! used in the determination of the numerically derived Jacobian/absolutely
RELT 1.0E-8 !relatively
初学,上面设置可能有点问题,不过直接用aurora模块已经把结果算出来了。
谢过了
帮了我可就是救人一命。
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