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Real-gas properties of n-alkanes, O2, N2, H2O, CO, CO2, and H2 for diesel engine operation conditions

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Abstract

The objective of the research outlined in this paper was to develop the analytical approximations for calculating real-gas properties (p-v-T data, thermodynamic functions: internal energy, enthalpy, and entropy, and specific heats) of vapor-phase n-alkanes from C1 (methane) to C14 (normal tetradecane), O2, N2, H2O, CO, CO2, and H2 within the range of pressure 0.05 MPa ≤ p ≤ 20 MPa and temperature 280 K ≤ T ≤ 3000 K aimed for implementation into computational fluid dynamics (CFD)-codes simulating the operation process in modern Diesel engines. The analytical approximations have been developed based on available literature data and on the new equation of state for moderately dense gases. The approximations reported are rather simple and therefore can be used directly in CFD codes. Approximations for mixing rules are also provided.

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Abbreviations

A1, A2, ...:

coefficients for individual species b = λRT c /p c \( \bar b \) = bρ c = λ/Z c

B :

second virial coefficient

B g = B/μ:

second virial coefficient

\( \bar B \) = Bρ c :

dimensionless second virial coefficient

\( \overline {B_1 } = \tau \frac{{d\overline B }} {{d\tau }} \) :

dimensionless first logarithmic derivative of second virial coefficient

\( \overline {B_2 } = \tau \frac{{d\overline {B_1 } }} {{d\tau }} \) :

dimensionless second logarithmic derivative of second virial coefficient \( \overline {B_s } \equiv d{{\left( {\tau \bar B} \right)} \mathord{\left/ {\vphantom {{\left( {\tau \bar B} \right)} {d\tau }}} \right. \kern-\nulldelimiterspace} {d\tau }} = \bar B + \overline {B_1 } \) \( \overline {B_{2t} } \equiv d{{\left( {\tau \overline {B_1 } } \right)} \mathord{\left/ {\vphantom {{\left( {\tau \overline {B_1 } } \right)} {d\tau }}} \right. \kern-\nulldelimiterspace} {d\tau }} = \overline {B_1 } + \overline {B_2 } \)

C :

coefficient in thermal equation of state

C g = C/μ:

coefficient in thermal equation of state

\( \bar C \) = Cρ 2 c :

dimensionless coefficient in thermal equation of state

C p0 :

ideal-gas specific heat at constant pressure

C v0 :

ideal-gas specific heat at constant volume

C p, exc :

excess specific heat at constant pressure

C v, exc :

excess specific heat at constant volume

C p :

real-gas specific heat at constant pressure

C v :

real-gas specific heat at constant volume

D :

coefficient in thermal equation of state

D g = D/μ:

coefficient in thermal equation of state

\( \bar D \) = Dρ 3 c :

dimensionless coefficient in thermal equation of state

E :

real-gas internal energy

E 0 :

ideal-gas internal energy

E exc :

excess internal energy

F :

coefficient in thermal equation of state

\( \bar F \) = Fρ 4 c :

dimensionless coefficient in thermal equation of state

G :

coefficient in thermal equation of state

\( \bar G \) = Gρ 5 c :

dimensionless coefficient in thermal equation of state

H :

real-gas enthalpy

H 0 :

ideal-gas enthalpy

H exc :

excess enthalpy

I :

coefficient in thermal equation of state

\( \bar I \) = Iρ 6 c :

dimensionless coefficient in thermal equation of state

p :

pressure

p c :

critical pressure

r = ρ/ρ c :

dimensionless density

R :

universal gas constant

R g = R/μ:

universal gas constant

S :

real-gas entropy

S 0 :

ideal-gas entropy

S exc :

excess entropy

T :

temperature

T 0 :

reference temperature

T c :

critical temperature

x = θ/T:

dimensionless reciprocal temperature

x i = θ i /T (i = 1, 2, 3, 4):

dimensionless reciprocal temperature

x0 = θ/T0:

dimensionless reciprocal reference temperature

xi0 = θ i /T0 (i = 1, 2, 3, 4):

dimensionless reciprocal reference temperature

Z c = p c /(ρ c RT c ):

compressibility in the critical point

λ:

fitting parameter

μ:

molecular mass

Π = p/p c :

dimensionless pressure

ρ:

density

ρ c :

critical density

τ = T/T c :

dimensionless temperature

θ, θ1, θ2, θ3, θ4 :

characteristic vibration temperatures of molecule

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Authors and Affiliations

  1. Semenov Institute of Chemical Physics, ul. Kosigina 4, Moscow, 119991, Russia

    S. M. Frolov & N. M. Kuznetsov

  2. Daimler-Chrysler AG, Stuttgart, 70546, Germany

    C. Krueger

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  1. S. M. Frolov
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  2. N. M. Kuznetsov
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  3. C. Krueger
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Frolov, S.M., Kuznetsov, N.M. & Krueger, C. Real-gas properties of n-alkanes, O2, N2, H2O, CO, CO2, and H2 for diesel engine operation conditions. Russ. J. Phys. Chem. B 3, 1191–1252 (2009). https://doi.org/10.1134/S1990793109080090

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