GASES

GASES introduces gas parameters, For EOS6, EOS7, TMVOC and EWASG only.

Record GASES.1

Format (1I5) or free format

NumGas

NumGas Number of gases to be simulated, the maximum is 4 for EOS7 and EWASG, 1 for EOS6, and 8 for TMVOC.

Record GASES.2

Free format for 14 parameters

GasName, OCKM, ALAMM, AMWTM, SolCM, b(i) (i=0-8)

GasName Name of the gas. It must be selected from following list: CH4, C2H6, C3H8, H2S, CO2, N2, O2, C2H5OH, H2, nC4H10, iC4H10 and AIR for module EOS7 and EWASG; CH4, C2H6, H2S, CO2, N2, O2, H2, AIR, NH3, C2H2, and C2H4 for TMVOC; and any name for EOS6.

OCKM Gas carbon partition coefficient Koc, $m^3/kg$ (not used in current version).

ALAMM Decay constant for biodegradation, default value is 0.0. (Used by EOS6 only)

AMWTM Gas molecular weight, g/mole, for EOS6 only.

SolCM Gas solubility calculation method, for EOS6 only

=0, constant HC (Default)

=1, interpolation HC from table provided through data file by user.

=2, use CRAMER (1982) or D'AMORE AND TRUESDELL (1988).

=3, use Equation (8-3)

b(i) i=0-8, parameters for HC calculation when SolCM=0, 2 or 3, for

EOS6 only.

Parameters for calculation of Henry's constant are inputted through the array b(i). The following are the functions used for the calculation of hc:

(1) SolCM=0

Default hc= 1.0e-10. If b(0)>0.0, hc=b(0)*1.0e-10.

(2) SolCM=1

See Appendix E for details.

(3) SolCM=2

$hc=\dfrac{1.0}{(b_1+b_2t+b_3t^2+b_4t^3+b_5t^4+b_6t^5+b_7t^6+b_8t^7)*101325}$ (8-2)

where $b_i=b(i)$

t is temperature in degrees Celsius (°C).

For special cases with b(1) has:

b(1)=-1: hc=b(0)*hc_CH4.

b(1)=-2: hc=b(0)*hc_CO2.

b(1)=-3: hc=b(0)*hc_N2.

b(1)=-4: hc=b(0)*hc_O2.

b(1)=-5: hc=b(0)*hc_H2.

b(1)=-6: hc=b(0)*hc_AIR.

hc_CH4, hc_CO2, hc_N2, hc_O2, hc_H2, and hc_AIR are calculated internally using the equation (8-2) with parameters from literatures Cramer (1982) or Damore and Truesdell (1988).

(4) SolCM=3

$hc=10^{-6}*e^{-(b_1+b_2*tk+b_3/tk+b_4*log(tk))}$ (8-3)

where bi=b(i)

tk is temperature in Kelvin.

For special cases with b(1)<0:

b(1)=-1: hc=b(0)*hc_C2H6.

b(1)=-2: hc=b(0)*hc_C3H8.

b(1)=-3: hc=b(0)*hc_H2S.

b(1)=-4: hc=b(0)*hc_nC4H10.

b(1)=-5: hc=b(0)*hc_iC4H10.

hc_C2H6, hc_C3H8, hc_H2S, hc_N-C4H10, and hc_I-C4H10 are calculated internally using the equation (8-3) with parameters from literatures Damore and Truesdell (1988).

For EOS7 and EWASG module, the gas name must be one of the gases implemented in the gas library (CH4, C2H6, C3H8, H2S, CO2, N2, O2, C2H5OH, H2, nC4H10, iC4H10, AIR).

For TMVOC module, the gas name must be chosen among the 11 gases included in the internal data bank: CH4, C2H6, H2S, CO2, N2, O2, H2, AIR, NH3, C2H2, C2H4.

Repeat the record GASES.2 for NumGas times for input of all the gases.

If InitCType in MODDE.1 is "EOS7", "EOS7R", "EOS7C", or "EOS7MG", default gases for the corresponding EOS modules will be used and the input for "GASES" can be neglected.

Used in: EOS6, EOS7, TMVOC, EWASG

Example:

GASES

2 //two gases are defined for current simulation

H2

CO2