Fluid Coexistence close to Criticality: Scaling Algorithms for Precise Simulation

A novel algorithm is presented that yields precise estimates of coexisting liquid and gas densities, $\rho^{\pm}(T)$, from grand canonical Monte Carlo simulations of model fluids near criticality. The algorithm utilizes data for the isothermal minima of the moment ratio $Q_{L}(T;<\rho>_{L})$ $\equiv< m^{2}>_{L}^{2}/< m^{4}>_{L}$ in $L$$\times$$...$$\times$$L$ boxes, where $m=\rho-<\rho>_{L}$. When $L$$\to$$\infty$ the minima, $Q_{\scriptsize m}^{\pm}(T;L)$, tend to zero while their locations, $\rho_{\scriptsize m}^{\pm}(T;L)$, approach $\rho^{+}(T)$ and $\rho^{-}(T)$. Finite-size scaling relates the ratio {\boldmath $\mathcal Y$}$=$$(\rho_{\scriptsize m}^{+}-\rho_{\scriptsize m}^{-})/\Delta\rho_{\infty}(T)$ {\em universally} to ${1/2}(Q_{\scriptsize m}^{+}+Q_{\scriptsize m}^{-})$, where $\Delta\rho_{\infty}$$=$$\rho^{+}(T)-\rho^{-}(T)$ is the desired width of the coexistence curve. Utilizing the exact limiting $(L$$\to$$\infty)$ form, the corresponding scaling function can be generated in recursive steps by fitting overlapping data for three or more box sizes, $L_{1}$, $L_{2}$, $...$, $L_{n}$. Starting at a $T_{0}$ sufficiently far below $T_{\scriptsize c}$ and suitably choosing intervals $\Delta T_{j}$$=$$T_{j+1}-T_{j}$$>$0 yields $\Delta\rho_{\infty}(T_{j})$ and precisely locates $T_{\scriptsize c}$.