tests/collisionintegral.R

In chapensk: Estimation of Gas Properties from the Lennard-Jones Potential

# Test calculation of collision integrals
# reference data: Table 4 of Kim and Monroe (2014)

library(chapensk)

# graphics parameters
width <- 5
height <- 5
mar <- c(5.1, 4.6, 0.2, 0.6)
mai <- c(1.02, 0.82, 0.04, 0.04)
family <- "Helvetica"
pointsize <- 12
lwd <- 1
tempcol <- c(
  "blueviolet",
  "darkblue",
  "deepskyblue4",
  "cornflowerblue",
  "chartreuse4",
  "chocolate4",
  "red",
  "blue",
  "green",
  "lavender"
)

O11 <- CollisionIntegral(l = 1, s = 1)
O12 <- CollisionIntegral(l = 1, s = 2)
O13 <- CollisionIntegral(l = 1, s = 3)
O22 <- CollisionIntegral(l = 2, s = 2)
O23 <- CollisionIntegral(l = 2, s = 3)
O24 <- CollisionIntegral(l = 2, s = 4)
O25 <- CollisionIntegral(l = 2, s = 5)
O26 <- CollisionIntegral(l = 2, s = 6)
O44 <- CollisionIntegral(l = 4, s = 4)

print(round(O11$Omega(0.3), digits = 4))
print(round(O12$Omega(0.3), digits = 4))
print(round(O13$Omega(0.3), digits = 4))
print(round(O22$Omega(0.3), digits = 4))
print(round(O24$Omega(0.3), digits = 4))
print(round(O25$Omega(0.3), digits = 4))
print(round(O26$Omega(0.3), digits = 4))
print(round(O44$Omega(0.3), digits = 4))

print(round(O11$Omega(400), digits = 5))
print(round(O12$Omega(400), digits = 5))
print(round(O13$Omega(400), digits = 5))
print(round(O22$Omega(400), digits = 5))
print(round(O24$Omega(400), digits = 5))
print(round(O25$Omega(400), digits = 5))
print(round(O26$Omega(400), digits = 5))
print(round(O44$Omega(400), digits = 5))

np <- 20
lT1 <- log10(0.4)
lT2 <- log10(399)
dt <- (lT2 - lT1) / np
Theta <- 10^(lT1 + c(0:np) * dt)
if (interactive()) {
  if (exists("outputDevice")) {
    if (outputDevice == "pdf") pdf(file = "man/figures/collisionintegral.pdf", width = width, height = height, family = family, pointsize = pointsize)
    if (outputDevice == "svg") svg(file = "man/figures/collisionintegral.svg", width = width, height = height, family = family, pointsize = pointsize)
  }
}
par(mai = mai, mar = mar)
plot(Theta, O11$Omega(Theta), log = "xy", type = "l", xlab = expression(Theta), ylab = expression(Omega(l, s)), col = tempcol)
lines(Theta, O12$Omega(Theta), col = tempcol[2])
lines(Theta, O13$Omega(Theta), col = tempcol[3])
lines(Theta, O22$Omega(Theta), col = tempcol[4])
lines(Theta, O24$Omega(Theta), col = tempcol[5])
lines(Theta, O26$Omega(Theta), col = tempcol[6])
lines(Theta, O44$Omega(Theta), col = tempcol[7])
legend("topright", legend = c("(1,2)", "(1,3)", "(2,2)", "(2,4)", "(2,6)", "(4.4)"), text.col = tempcol, col = tempcol, box.lwd = 0)
dev.off()