Luijten Erik, Fisher Michael E, Panagiotopoulos Athanassios Z
Institute for Physical Science and Technology, University of Maryland, College Park, MD 20742, USA.
Phys Rev Lett. 2002 May 6;88(18):185701. doi: 10.1103/PhysRevLett.88.185701. Epub 2002 Apr 18.
The 1:1 equisized hard-sphere electrolyte or restricted primitive model has been simulated via grand-canonical fine-discretization Monte Carlo. Newly devised unbiased finite-size extrapolation methods using loci in the temperature-density or (T,rho) plane of isothermal rho(2-k) vs pressure inflections, of Q identical with<m(2)>(2)/<m(4)> maxima, and of canonical and C(V) criticality, yield estimates of (T(c),rho(c)) to +/-(0.04,3)%. Extrapolated exponents and Q ratio are (gamma,nu,Q(c)) = [1.24(3), 0.63(3); 0.624(2)], which support Ising (n = 1) behavior with (1.23(9), 0.630(3); 0.623(6)), but exclude classical, XY (n = 2), self-avoiding walk (n = 0), and n = 1 criticality with potentials varphi(r)>Phi/r(4.9) when r-->infinity.
通过巨正则精细离散蒙特卡罗方法模拟了1:1等尺寸硬球电解质或受限原始模型。新设计的无偏有限尺寸外推方法,利用等温ρ(2 - k)与压力拐点的温度-密度或(T,ρ)平面中的轨迹、与<m(2)>(2)/<m(4)>最大值相同的Q以及正则和C(V)临界性,得到的(T(c),ρ(c))估计值的误差为±(0.04,3)%。外推指数和Q比率为(gamma,nu,Q(c)) = [1.24(3), 0.63(3); 0.624(2)],这支持了具有(1.23(9), 0.630(3); 0.623(6))的伊辛(n = 1)行为,但排除了经典的、XY(n = 2)、自回避行走(n = 0)以及当r→∞时势φ(r)>Phi/r(4.9)的n = 1临界性。