• Toshiba Canvio Slim Ii User Manual

C-H-O system machanism based on.!- ELEMENTS H C N O END!- SPECIES H2 H O2 O OH HO2 H2O2 H2O N2 CH3 CH4.(snip). END!- THERMO CH3 121286C 1H 3 G 03.00 1000.00 1 0.02844051E+02 0.06137974E-01-0.02230345E-04 0.03785161E-08-0.02452159E-12 2 0.16437809E+05 0.05452697E+02 0.02430442E+02 0.11124099E-01-0.01680220E-03 3 0.16218288E-07-0.05864952E-10 0.16423781E+05 0.06789794E+02 4 END!- REACTIONS KJOULES/MOLE MOLECULES H + CH3 (+M) = CH4 (+M) 3.50E-10 0. 0.!94CEC (300-1000K) LOW /1.726E-24 -1.8 0./! For M=Ar TROE /0.63 61. END!-.

CHEMKIN Tutorials Manual CHEMKIN® Software. 102 2-67 Reactor model palette showing the multi-zone model icon in the CHEMKIN User Interface. Manual for the Use of Soot Subroutines in Chemical Kinetics Applications. The user must provide the array Y and the indices. Chemkin-II examples.

The input should be in the following order. The thermo block may be skipped. List all the species (atoms and molecules) to be considered.

Similarly to the elements, place the names of the species delimited by spaces or a line-feed between 'SPECIES' and 'END'. The species name cannot exceed 16 charactors, and the first letter should not be numeric, '+', nor '='. It does not need to be a chemcal formula such as CH4' or 'C2H6', but should be identical with the name in the therm.dat or thermo block.

(For example, formyl radical in the default therm.dat is named as 'HCO', not 'CHO') When the chemical formula is not enough to identify the species, refer to The Chemkin Thermodynamic Data Base (SAND87-8215B). For example, there are three species with C3H4 chemcal formula in therm.dat. They are named as 'C3H4', 'C3H4C', and 'C3H4P' corresponding to allene, cyclopropene, and propyne, respectively. Thermo block. This block is an option. When the all species in the Species Block are registered in the therm.dat, and if you choose to use them, this block can be skipped. Place the coefficients for thermodynamic functions in four-lines fixed-format per one species between 'THERMO' and 'END'.

The format is identical with that of therm.dat and refer to the (therm.dat) section for details. With Chemkin, thermodynamic data should be given for all the species considered. Since thermodynamic functions are required to calculate the rate constants for reverse reactions (See ) and the heat balance. In an exceptional case, when no reverse reaction should be considered and the temperature change can be negligible (which may no be rare as the condition of the laboratory kinetic experiments.), thermodynamic data is not necessary. However, even for the isothermic calculation without any reversible reaction, Chemkin requests the thermodata.

In such a case, one may register dummy (may be totally inaccurate) thermodata to avoid the error of Chemikin. For this case, do not modify the therm.dat with dummy data, but register it in here in the Thermo block.

Reactions block. M is a special third-body reactant (and product) representing the all the species.

It may be used as the following example. H + H + M = H2 + M Details of the reactions with third-body will be given below. One of the following separators can be used between the reactants and products.

= Indicates an irreversible reaction, that is, only the forward reaction is considered. = or Indicates an reversible reaction.

The rate constant for the reverse reaction is calculated from the thermodynamic data unless it is specified by using REV keyword. (1) The parameters, A, b, and E a should be specified in this order separated by space charactors.

In the top line of the Reactions Block, two keywords specifying units for the activation energy and preexponential factor may placed after 'REACTIONS' delimited with space charactors. The default is cal/mol for the activation energy and mol-cm-s-K for the preexponential factor. The acceptable keywords are as follows.

CAL/MOLE, KCAL/MOLE, JOULES/MOLE, KJOULES/MOLE, KELVINS. MOLES, MOLECULES The unit for the preexponential factor may be either mol-cm-s-K (default, MOLES) or molecules-cm-s-K (MOLECULES). No choice for the unit such as mol/ l (= mol dm −3).

(5) (6) (7) (8) (9) (10) Similarly to the case of Lindemann formula, give the rate parameters for high-pressure and low-pressure limits in the first and second lines, and in the third line, give the parameters a, T., T., and T., in this order by using TROE keyword. The last parameter, T., is optional and the last term of eq.

(10) will be omitted when this parameter is omitted. Below is an example. A + B (+ M) = C (+ M) 2.3E14 0.0 156.2 LOW/ 6.3E27 -2.6 -54.3 / TROE/ 0.604 6980. / In general, the rate parameters for the low-pressure limit or the low-pressure part of the fall-off region depends largely on the buffer gas. This effect can be specified as an enhancement factor. Here is an example.

A + B + M = C + M 6.3E27 -2.6 -54.3 CO/1.9/ H2/1.7/ CO2/3./ H2O/5./ In this example, the low-pressure limiting rate constant is multiplied by 1.9, 1.7, 3., and 5. For CO, H2, CO2, and H2O, respectively. Similar input can be added for the fall-off reactions.

The form-1 input may be followed by a sequence of PLOG keywords with Arrhanius parameters at the specified pressure. This format can be used to express the pressure dependence of the rate coefficients. C3H6=C2H3+CH3 5.986E+30 -3.9888 107791.! HPL PLOG / 0.1 3.075E+69 -15.9470 123807. Rrkm2014 PLOG / 1. 1.898E+71 -16.0387 128780.

1.863E+69 -15.1393 131253. / PLOG / 100. 7.007E+61 -12.8256 128945. / The pressure (atm), A, b, Ea should be written in this order between two slashes (/ and /).

The rate constants are linearly interpolated with respect to the logarithm of the pressure in between two pressure. The rate coefficients will take the lowest pressure value or the highest pressure value when the pressure is outside the specified range. Senkin inputs. CONP CONstant Pressure & adiabatic CONV CONstant Volume & adiabatic CONT CONstant Temperature & constant pressure ICEN Internal Combustion ENgine (zero-dimensional) – Adiabatic compression and expansion with a constant speed crank-piston mechanism. CGME Core Gas Model Extention – Core gas model calculation for a rapid compression machine. PRGV. PRo Grammed Volume & adiabatic VTIM # Volume as a function of TIMe & adiabatic PRGT.

PRo Grammed Temperature & constant pressure TTIM # Temperature as a function of TIMe & constant pressure. These options can be used to investigate the gas-liquid mixing during the spray combustion and various gas-gas mixing during combustion processes by zero-dimensional calculations. These codes have been develop to analyze the reactions and ignition behaviors of the local gas mixture during the complex mixing processes occurting in the combustion including the spray combustion. They can be used with any of the problem selections ( CONP, CONV, ICEN, etc.). The thremodynamics of the mixing process is calculated according to the problem selected. That is, for the volume-specified problems ( CONV, ICEN, CGME, PRGV, and VTIM), the internal energy conservation is assumed, while the enthalpy conservation is assumed for the pressure-specified problem ( CONP). For the temperature-specified problems ( CONT, PRGT, and TTIM), isothermic mixing is assumed.

Toshiba Canvio Slim Ii User Manual

Inject liquid to reacting gas to simulate the local gas behavior during the spray combustion. The temperature and the composition of the gas are calculated by assuming prompt vaporization of the liquid, according to the problem selected. With this keyword, the time to start the injection ( t inj s), period ( τ s), amount of fuel injected in terms of equivalence ratio ( φ),function form of the temporal injection rate profile ( f inj ) must be specified. The names of the liquid species, corresponding vapor species, and the mole fraction must be specified with the LIQU option described below.

The temperature of the liquid can be specified with TLIQ option. Multiple injections can be simulated with multiple INJL option lines. The temporal injection rate profile should be one of the following three.

Specify the chemical species name of the liquid component ( N liq) injected by INJL, the species name of the corresponding vapor ( N vap), and the mole fraction of the component ( x m). Both species should be declared in the species block of the Chemkin intepreter input and the thermodynamic data for them must be present.

Mixture fuels such as PRF can be specified by using multiple LIQU lines as in the following example. The sum of the mole fractions does not need to be unity. It is renormalized to be unity inside the code.

PRF90 mixture LIQU iC8H18(L) iC8H18 0.888729 LIQU nC7H16(L) nC7H16 0.111271 example-2:! N-heptane LIQU nC7H16(L) nC7H16 1 TLIQ T liq Temperature of LIQuid. Adiabatically mix a gas mixture with arbitrary composition and temperature. The time to start mixing ( t st s), period ( τ s), mass fraction to mix ( y), time-function form ( f mx), and the name of a senkin binary (restart) file ( N f) must be specified. The information of the gas to be mixed should be prepared in a senkin binary (restart) file. By using multiple MIXG option lines, same or different gas mixture(s) can be mixed multiple times.

The function form of the temporal mixing rate f mx can be selected from REC, EXP, and RND similarly to the injection rate function f inj in INJL described above. The senkin binary (restart) files can be generated by tools such as sbrest, sbdump, sbgen, sbmod, sbhmix, etc.

(See for details.) example: MIXG 2e-3 2e-5 0.1 REC unburntgas.bin MIXG 5e-3 5e-5 0.1 REC burntgas.bin ICEN options. The profile of the volume change specified by the CCVC and CCVF options is shown in the figure to the right. CCVC option specifies ( t i, V i) pairs at the switching points of the function forms. The time = 0 should be defined so that the V −1 in the first part can be well approximated by a quadratic. In the second and third parts, V and V −1 are approximated by straight lines, respectively. In the fourth part, V −1 is quadratic. After t 4, V −1 is approximated by the decay function specified by CCVF.

sb2c (sbin2csv.f) Control file TIME OUTPUT CONTROL: (s ms us) atol=# rtol=# mind=# maxd=# sent=# us mind=1e-6 maxd=1e-5 atol=1e-15 rtol=.05 CONC OUTPUT CONTROL: all selonly none molecules/cc molefrac molecules/cc selonly H O OH HO2 H2 O2 SENS OUTPUT CONTROL: all none (or species name list) H O TEMP In three blocks (TIME OUTPUT CONTROL, CONC OUTPUT CONTROL, SENS OUTPUT CONTROL), specify the control parameters. The first line and the lines beginning with ' are comment lines and may be modified, but should not be deleted. Though the keywords are case insensitive, the species names are case sensitive.

TIME OUTPUT CONTROL (one line). Specify the unit of the time output and the frequency of the output. Although the save.bin contains the all the results for every integration steps, they are not always necessary, for example, for the plotting. Since the converting all the time steps into CSV files often results in an extremely large file size and/or slow plotting, they are skipped properly. The skipping is controlled by the parameters here. When the variation of the variables (mostly concentrations) is small, the output interval may be large. Such a control can be done with atol and rtol.

Also, for example for plotting, the resolution of the abscissa is limited to certain value. The minimum time resolution is controlled by mind. One of the followings can be specified as the unit of time. When omitted, default is 's' (seconds). rxnc (rxncntrb.f) Control Input File (Time points to be investigated in s) time1, time2.

2.5e-4 1.78e-4 5e-5 1.e-6 (species to be investigated) name1, name2. H O HO2 options (atol, min%, top#, sbin, ocsv) atol=1e-20 min%=0.1 sbin=save.bin The third, fifth, and seventh lines specifies the time, species, and option, respectively. In the time specification, the time to be analyzed is specified in the unit of seconds. Multiple values are allowed. In the species line, the names of the chemical species must be listed.

In the option line, following input with the form of keyword= value can be accepted.