450 lines
22 KiB
Plaintext
450 lines
22 KiB
Plaintext
Dimethyl ether !Short name
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115-10-6 !CAS number
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Methoxymethane !Full name
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(CH3)2O !Chemical formula {C2H6O}
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RE-170 !Synonym
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46.06844 !Molar mass [g/mol]
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131.66 !Triple point temperature [K]
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248.368 !Normal boiling point [K]
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400.378 !Critical temperature [K]
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5336.845 !Critical pressure [kPa]
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5.94 !Critical density [mol/L]
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0.196 !Acentric factor
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1.301 !Dipole moment [Debye]; Nelson, R.D., Lide, D.R., Maryott, A., NSRDS 10, NBS (1967)
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NBP !Default reference state
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10.0 !Version number
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1033 !UN Number :UN:
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ether !Family :Family:
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???? !Heating value (upper) [kJ/mol] :Heat:
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1. !GWP (IPCC 2007) :GWP:
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8500. !RCL (ppm v/v, ASHRAE Standard 34, 2010) :RCL:
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A3 !Safety Group (ASHRAE Standard 34, 2010) :Safety:
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1S/C2H6O/c1-3-2/h1-2H3 !Standard InChI String :InChi:
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LCGLNKUTAGEVQW-UHFFFAOYSA-N !Standard InChI Key :InChiKey:
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???? !Alternative fluid for mixing rules :AltID:
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8f27e300 !Hash number from InChI Key :Hash:
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!The fluid files contain general information about the fluid in the first 15 to 20 lines, followed by sections for the
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! equations of state, transport equations, and auxiliary equations. Equations of state are listed first. The NIST recommended
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! equations begin with a hash mark (#). The secondary equations begin with the @ symbol. These symbols can be swapped to
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! select a secondary equation as primary and the primary as secondary. The equation of state section also contains auxiliary
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! equations for the ideal gas heat capacity or ideal gas Helmholtz energy. Below the equations of state (both primary and
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! secondary) are the transport equations, first viscosity and then thermal conductivity. These are then followed by the
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! secondary equations if available. The transport section also contains auxiliary equations required to calculate either the
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! dilute gas state or the critical enhancement. At the end of the file are additional but not necessary auxiliary equations,
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! including simple equations for the vapor pressure, saturated liquid and vapor densities, melting line (for some fluids), and
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! sublimation line (for even fewer fluids). This section also contains the equations for dielectric constant and surface
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! tension if available. The sections are divided by different symbols (these being _-+=^*~) to aid the eye in locating a
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! particular section. Secondary equations are indented 10 spaces to avoid confusion with the NIST recommended equations. The
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! end of the fluid file is marked with @END. Anything below that is ignored.
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! compiled by M. McLinden, NIST Physical and Chemical Properties Division, Boulder, Colorado
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! 07-16-98 MM, Original version.
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! 05-12-05 MLH, Add transport.
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! 05-10-06 EWL, Add new Helmholtz EOS.
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! 04-12-07 EWL, Change full name from ethylene oxide to methoxymethane.
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! 01-06-09 MLH, Revise thermal conductivity.
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! 06-29-10 YZ, Add Wu et al. equation of state.
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! 08-19-10 IDC, Add density ancillary equations.
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! 03-22-11 EWL, Change ttrp from 131.65 to 131.66 K.
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! 03-28-11 EWL, Replace ancillaries with those from Wu et al.
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! 03-08-12 EWL, Add viscosity equation of Meng et al. (2012).
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! 12-06-12 EWL, Add surface tension coefficients of Mulero et al. (2012).
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! 11-20-17 MLH, Revise ecs thermal conductivity.
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________________________________________________________________________________
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#EOS !---Equation of state---
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FEQ !Helmholtz equation of state for dimethylether of Wu et al. (2011).
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:TRUECRITICALPOINT: 400.378 5.94 !True EOS critical point [K, mol/L] (where dP/dD=0 and d^2P/dD^2=0 at constant T)
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:DOI: 10.1063/1.3582533
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Wu, J., Zhou, Y., and Lemmon, E.W.,
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? "An Equation of State for the Thermodynamic Properties of Dimethyl Ether,"
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? J. Phys. Chem. Ref. Data, 40, 023104, 2011.
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?
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?The uncertainties (k = 2, indicating a level of confidence of 95%) of the
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? equation of state in density are 0.1% in the liquid phase and 0.3% in the vapor
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? phase. In the extended critical region, the uncertainty in density is 0.5%,
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? except for very near the critical point. In the vapor-liquid region, the
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? uncertainty in vapor pressure is 0.2% above 230 K, but increases as temperature
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? decreases; the uncertainty in saturated liquid density is 0.05 %, except for
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? very near the critical point. The uncertainty in heat capacity is 2.0 %. In the
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? critical region, the uncertainties are higher for all properties except vapor
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? pressure.
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?
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!```````````````````````````````````````````````````````````````````````````````
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131.66 !Lower temperature limit [K]
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525.0 !Upper temperature limit [K]
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40000.0 !Upper pressure limit [kPa]
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19.15 !Maximum density [mol/L]
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CPP !Pointer to Cp0 model
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46.06844 !Molar mass [g/mol]
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131.66 !Triple point temperature [K]
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0.00221 !Pressure at triple point [kPa]
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19.15 !Density at triple point [mol/L]
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248.368 !Normal boiling point temperature [K]
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0.196 !Acentric factor
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400.378 5336.8 5.94 !Tc [K], pc [kPa], rhoc [mol/L]
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400.378 5.94 !Reducing parameters [K, mol/L]
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8.314472 !Gas constant [J/mol-K]
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11 4 4 12 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms
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0.029814139 1.0 4. 0. !a(i),t(i),d(i),l(i)
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1.43517 0.4366 1. 0.
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-2.64964 1.011 1. 0.
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-0.29515532 1.137 2. 0.
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0.17035607 0.45 3. 0.
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-0.94642918 2.83 1. 2.
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-0.099250514 1.5 3. 2.
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1.1264071 1.235 2. 1.
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-0.76936548 2.675 2. 2.
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-0.020717696 0.7272 7. 1.
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0.24527037 1.816 1. 1.
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1.1863438 1.783 1. 2. 2. -0.965336 -1.287190 1.277720 0.672698 0. 0. 0.
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-0.49398368 3.779 1. 2. 2. -1.508580 -0.806235 0.430750 0.924246 0. 0. 0.
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-0.16388716 3.282 3. 2. 2. -0.963855 -0.777942 0.429607 0.750815 0. 0. 0.
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-0.027583584 1.059 3. 2. 2. -9.72643 -197.681 1.13849 0.800022 0. 0. 0.
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eta beta gamma epsilon
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EXP[eta*(delta-epsilon)^2+beta*(tau-gamma)^2]
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#AUX !---Auxiliary function for Cp0
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CPP !Ideal gas heat capacity function for dimethylether of Wu et al. (2011).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Wu et al., 2011.
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?
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!```````````````````````````````````````````````````````````````````````````````
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0. !
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10000. !
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0. !
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0. !
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1.0 8.314472 !Reducing parameters for T, Cp0
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1 4 0 0 0 0 0 !Nterms: polynomial, exponential, cosh, sinh
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4.039 0.0
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2.641 361.0
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2.123 974.0
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8.992 1916.0
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6.191 4150.0
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#AUX !---Auxiliary function for PX0
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PX0 !Helmholtz energy ideal-gas function for dimethylether of Wu et al. (2011).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Wu et al., 2011.
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?
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!```````````````````````````````````````````````````````````````````````````````
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1 2 4 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau))
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3.039 1.0 !ai, ti for [ai*log(tau**ti)] terms
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-1.9809687492709855 0.0 !aj, ti for [ai*tau**ti] terms
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3.1712155645197 1.0 !aj, ti for [ai*tau**ti] terms
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2.641 361.0 !aj, ti for [ai*log(1-exp(-ti/T)] terms
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2.123 974.0
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8.992 1916.0
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6.191 4150.0
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#AUX !---Auxiliary function for PH0
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PH0 !Ideal gas Helmholtz form for dimethylether.
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Wu et al., 2011.
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?
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!```````````````````````````````````````````````````````````````````````````````
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0. !
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10000. !
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0. !
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0. !
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1 2 4 0 0 0 0 0 !Nterms: ai*log(tau**ti); ai*tau**ti; ai*log(1-exp(bi*tau)); cosh; sinh
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3.039 1.0 !ai, ti for [ai*log(tau**ti)] terms
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-1.9809704305 0.0 !aj, ti for [ai*tau**ti] terms
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3.1712166102 1.0
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2.641 -0.9016479427 !aj, ti for [ai*log(1-exp(ti*tau)] terms
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2.123 -2.4327010975
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8.992 -4.7854777236
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6.191 -10.3652048814
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--------------------------------------------------------------------------------
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@EOS !---Equation of state---
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FE1 !Helmholtz equation of state for dimethylether of Ihmels and Lemmon (2007).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Ihmels, E.C. and Lemmon, E.W.
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? "Experimental Densities, Vapor Pressures, and Critical Point, and a
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? Fundamental Equation of State for Dimethyl Ether,"
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? Fluid Phase Equilibria, 260:36-48, 2007.
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?
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?The uncertainty in density of the equation of state ranges from 0.1% in the
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? liquid to 1% near the critical point. The uncertainty in heat capacities is
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? 2%, and the uncertainty in vapor pressure is 0.25% at temperatures above 200
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? K. The uncertainty in vapor pressure increases at lower temperatures due to
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? the lack of experimental data. In the critical region, the uncertainties
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? are higher for all properties except vapor pressure.
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?
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!```````````````````````````````````````````````````````````````````````````````
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131.65 !Lower temperature limit [K]
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525.0 !Upper temperature limit [K]
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40000.0 !Upper pressure limit [kPa]
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19.15 !Maximum density [mol/L]
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CPP !Pointer to Cp0 model
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46.06844 !Molar mass [g/mol]
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131.65 !Triple point temperature [K]
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0.0023 !Pressure at triple point [kPa]
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19.15 !Density at triple point [mol/L]
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248.34 !Normal boiling point temperature [K]
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0.197 !Acentric factor
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400.3 5340.5 6.013 !Tc [K], pc [kPa], rhoc [mol/L]
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400.3 6.013 !Reducing parameters [K, mol/L]
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8.314472 !Gas constant [J/mol-K]
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10 4 0 0 0 0 0 0 0 0 0 0 !# terms and # coefs/term for normal terms, Gaussian terms, and Gao terms
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1.22690 0.21 1. 0. !a(i),t(i),d(i),l(i)
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-2.47245 1.0 1. 0.
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0.119889 0.5 3. 0.
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0.0000354 1.0 8. 0.
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0.567139 1.4 2. 1.
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0.166649 3.1 1. 1.
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-0.078412 1.5 5. 1.
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-0.289066 5.0 1. 2.
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-0.031272 5.9 4. 2.
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-0.065607 3.7 3. 2.
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^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
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#ETA !---Viscosity---
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VS1 !Pure fluid viscosity model for dimethylether of Meng et al. (2012).
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:DOI: 10.1021/je201297j
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Meng, X., Zhang, J., Wu, J., and Liu, Z.,
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? "Experimental Measurement and Modeling of the Viscosity of Dimethyl Ether,"
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? J. Chem. Eng. Data, 57:988-993, 2012.
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?
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!```````````````````````````````````````````````````````````````````````````````
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131.66 !Lower temperature limit [K]
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525.0 !Upper temperature limit [K]
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40000.0 !Upper pressure limit [kPa]
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19.15 !Maximum density [mol/L]
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1 !Number of terms associated with dilute-gas function
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CI1 !Pointer to reduced effective collision cross-section model
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0.446704 !Lennard-Jones coefficient sigma [nm]
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317.937 !Lennard-Jones coefficient epsilon/kappa [K] for ECS method
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1.0 1.0 !Reducing parameters for T, eta
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0.14508011 0.5 !Chapman-Enskog term
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0 !Number of terms for initial density dependence
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0 10 0 0 0 0 !# resid terms: close-packed density; simple poly; numerator of rational poly; denominator of rat. poly; numerator of exponential; denominator of exponential
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400.378 5.94 1.0 !Reducing parameters for T, rho, eta
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-2.70002 -5.92 3. 0. 0 !Simple polynomial terms
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4.44583 -4.36 3. 0. 0
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-104.998 -2.93 3. 0. 1
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78.27474 -1.64 4. 0. 1
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41.3751 -7.86 5. 0. 2
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-175.055 -4.25 2. 0. 1
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62.81975 -4.79 2. 0. 1
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0.21302 -5.87 5. 0. 0
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112.3219 -3.11 2. 0. 2
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6.50681 -0.45 1. 0. 0
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NUL !Pointer to the viscosity critical enhancement auxiliary function (none used)
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#AUX !---Auxiliary function for the collision integral
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CI1 !Collision integral model for dimethylether of Meng et al. (2012).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Meng, X., Zhang, J., Wu, J., and Liu, Z., 2012.
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?
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!```````````````````````````````````````````````````````````````````````````````
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0. !
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10000. !
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0. !
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0. !
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3 !Number of terms
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0.294261 0 !Coefficient, power of Tstar
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-0.377826 1
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-0.491673 2
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++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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@TRN !---ECS Transport---
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ECS !Extended Corresponding States model (Propane reference); fitted to data for dimethylether.
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:DOI: 10.6028/NIST.IR.8209
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?
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?```````````````````````````````````````````````````````````````````````````````
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?*** ESTIMATION METHOD *** NOT STANDARD REFERENCE QUALITY ***
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?
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?Huber, M.L., (2018) "Models for the Viscosity, Thermal Conductivity, and
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? Surface Tension of Selected Pure Fluids as Implemented in REFPROP v10.0",
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? NISTIR 8209; doi: 10.6028/NIST.IR.8209
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?
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?Reference for experimental data for viscosity
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? Wu, J., Liu, Z., Bi, S. and Meng, X., "Viscosity of saturated liquid dimethyl ether from (227 to 343 )K", 2003,J. Chem. Eng. Data 48, 426-429.
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?
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?Reference for experimental data for thermal conductivity
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? Wu, J., Li, X., Zheng. H. and Assael, M.J.,"Thermal Conductivity of Liquid Dimethyl Ether from 233 K to 373 K at Pressures up to 30 MPa" J. Chem. Eng. Data (2009)
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?
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?Estimated uncertainties based on deviations of the fit from the experimental data were:
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? Liquid viscosity at saturation: < 1 %
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? Liquid thermal conductivity at saturation, < 2 %, at pressures
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? up to 30 MPa, < 6 %
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? Gas phase thermal conductivity not validated; may have errors 10-15 %
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?
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?The Lennard-Jones parameters were taken from Reid, R.C., Prausnitz, J.M., and Poling, B.E., "The Properties of Gases and Liquids," 4th edition, New York, McGraw-Hill Book Company, 1987.
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?
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!```````````````````````````````````````````````````````````````````````````````
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131.66 !Lower temperature limit [K]
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450.0 !Upper temperature limit [K]
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20000.0 !Upper pressure limit [kPa]
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19.24 !Maximum density [mol/L]
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FEQ PROPANE.FLD
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VS1 !Model for reference fluid viscosity
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TC1 !Model for reference fluid thermal conductivity
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NUL !Large molecule identifier
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1 !Lennard-Jones flag (0 or 1) (0 => use estimates)
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0.4307 !Lennard-Jones coefficient sigma [nm]
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395.0 !Lennard-Jones coefficient epsilon/kappa [K] for ECS method
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3 0 0 !Number of terms in f_int term in Eucken correlation, spare1, spare2
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-9.81010e-4 0. 0. 0. !Coefficient, power of T, spare1, spare2
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1.22857e-5 1. 0. 0. !Coefficient, power of T, spare1, spare2
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-1.60844e-8 2. 0. 0. !Coefficient, power of T, spare1, spare2
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3 0 0 !Number of terms in psi (visc shape factor): poly,spare1,spare2
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1.81678 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
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-0.696062 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare
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0.13901 0. 2. 0. !Coefficient, power of Tr, power of Dr, spare
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2 0 0 !Number of terms in chi (t.c. shape factor): poly,spare1,spare2
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1.12497 0. 0. 0. !Coefficient, power of Tr, power of Dr, spare
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-4.88562e-2 0. 1. 0. !Coefficient, power of Tr, power of Dr, spare
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TK3 !Pointer to critical enhancement auxiliary function
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@AUX !---Auxiliary function for the thermal conductivity critical enhancement
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TK3 !Simplified thermal conductivity critical enhancement for dimethylether of Perkins et al. (2013).
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Perkins, R.A., Sengers, J.V., Abdulagatov, I.M., and Huber, M.L.,
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? "Simplified Model for the Critical Thermal-Conductivity Enhancement in Molecular Fluids,"
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? Int. J. Thermophys., 34(2):191-212, 2013. doi: 10.1007/s10765-013-1409-z
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?
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!```````````````````````````````````````````````````````````````````````````````
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0. !
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10000. !
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0. !
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0. !
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9 0 0 0 !# terms: CO2-terms, spare, spare, spare
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1.0 1.0 1.0 !Reducing parameters for T, rho, tcx [mW/(m-K)]
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0.63 !Nu (universal exponent)
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1.239 !Gamma (universal exponent)
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1.02 !R0 (universal amplitude)
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0.063 !Z (universal exponent--not used for t.c., only viscosity)
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1.0 !C (constant in viscosity eqn = 1/[2 - (alpha + gamma)/(2*nu)], but often set to 1)
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0.189e-9 !Xi0 (amplitude) [m]
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0.057 !Gam0 (amplitude) [-]
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0.540e-9 !Qd_inverse (modified effective cutoff parameter) [m]; arbitrary guess
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600.57 !Tref (reference temperature)=1.5*Tc [K]
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~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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#STN !---Surface tension---
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ST1 !Surface tension model for dimethylether of Mulero et al. (2012).
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:DOI: 10.1063/1.4768782
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?
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?```````````````````````````````````````````````````````````````````````````````
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?Mulero, A., Cachadi<64>a, I., and Parra, M.I.,
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? "Recommended Correlations for the Surface Tension of Common Fluids,"
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? J. Phys. Chem. Ref. Data, 41(4), 043105, 2012. doi: 10.1063/1.4768782
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?
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!```````````````````````````````````````````````````````````````````````````````
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0. !
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10000. !
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0. !
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0. !
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1 !Number of terms in surface tension model
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400.378 !Critical temperature used in fit (dummy)
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0.063157 1.2595 !Sigma0 and n
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#PS !---Vapor pressure---
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PS5 !Vapor pressure equation for dimethylether of Wu et al. (2011).
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?
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?```````````````````````````````````````````````````````````````````````````````
|
||
?Functional Form: P=Pc*EXP[SUM(Ni*Theta^ti)*Tc/T] where Theta=1-T/Tc, Tc and Pc
|
||
? are the reducing parameters below, which are followed by rows containing Ni and ti.
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
0. !
|
||
10000. !
|
||
0. !
|
||
0. !
|
||
400.378 5336.8 !Reducing parameters
|
||
4 0 0 0 0 0 !Number of terms in equation
|
||
-7.112782 1.0
|
||
1.971239 1.5
|
||
-2.276083 2.5
|
||
-2.215774 5.0
|
||
|
||
|
||
#DL !---Saturated liquid density---
|
||
DL1 !Saturated liquid density equation for dimethylether of Wu et al. (2011).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Functional Form: D=Dc*[1+SUM(Ni*Theta^ti)] where Theta=1-T/Tc, Tc and Dc are
|
||
? the reducing parameters below, which are followed by rows containing Ni and ti.
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
0. !
|
||
10000. !
|
||
0. !
|
||
0. !
|
||
400.378 5.94 !Reducing parameters
|
||
4 0 0 0 0 0 !Number of terms in equation
|
||
7.884834 0.54
|
||
-10.516328 0.74
|
||
5.39142 0.95
|
||
0.404890 11.43
|
||
|
||
|
||
#DV !---Saturated vapor density---
|
||
DV4 !Saturated vapor density equation for dimethylether of Wu et al. (2011).
|
||
?
|
||
?```````````````````````````````````````````````````````````````````````````````
|
||
?Functional Form: D=Dc*EXP[SUM(Ni*Theta^(ti/3))] where Theta=1-T/Tc, Tc and Dc are
|
||
? the reducing parameters below, which are followed by rows containing Ni and ti.
|
||
?
|
||
!```````````````````````````````````````````````````````````````````````````````
|
||
0. !
|
||
10000. !
|
||
0. !
|
||
0. !
|
||
400.378 5.94 !Reducing parameters
|
||
5 0 0 0 0 0 !Number of terms in equation
|
||
-4.136444 1.467
|
||
-4.302025 4.2
|
||
-12.032140 8.0
|
||
-39.527936 17.0
|
||
-89.476860 36.0
|
||
|
||
|
||
@END
|
||
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