tests/gas.R

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

library(chapensk)

# graphics parameters
width <- 10
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

if (interactive()) {
  if (exists("outputDevice")) {
    if (outputDevice == "pdf") pdf(file = "man/figures/critical_data.pdf", width = width, height = height, family = family, pointsize = pointsize)
    if (outputDevice == "svg") svg(file = "man/figures/critical_data.svg", width = width, height = height, family = family, pointsize = pointsize)
  }
  split.screen(figs = c(1, 2))
}

if (interactive()) {
  screen(1)
}
par(mai = mai, mar = mar)
np <- subset(gas, dipole_moment == 0)
plot(np$epsk, np$Tc,
  xlim = c(0, 600), ylim = c(0, 700),
  xlab = expression(epsilon / italic(k) ~ "[K]"),
  ylab = "Critical temperature / [K]",
)
text(np$epsk, np$Tc, np$name, pos = 4, cex = 0.7, col = "blue")
abline(a = 0, b = 1.321)
if (interactive()) {
  legend("top", bty = "n", legend = "(a)")
  screen(2)
}
x <- 0.001 / pkg.env$Na * ((1e-10 * np$sigma)^(-3))
y <- np$rhoc
par(mai = mai, mar = mar)
plot(x, np$rhoc,
  xlim = c(0, 60),
  ylim = c(0, 16),
  xlab = expression(1 / (sigma^3) / Na ~ "[mol/l]"),
  ylab = "Critical density / [mol/l]",
)
text(x, np$rhoc, np$name, pos = 4, cex = 0.7, col = "blue")
abline(a = 0, 0.316)

if (interactive()) {
  legend("top", bty = "n", legend = "(b)")
  close.screen()
  dev.off()
}