Lennard-Jones fluid simulation website

2. Monte Carlo results

NVT Monte Carlo results at both liquid- and vapor-like densities along two isotherms of reduced temperature 0.85 and 0.90. Mean values and standard deviations of energy and pressure are reported.
METHOD: NVT Monte Carlo
N: 500
TRUNCATION: 3σ + standard long range corrections
PRODUCTION: 2.5E8 trials
T* ρ* U* +/- p* +/-
8.50E-01 1.00E-03 -1.0317E-02 2.34E-05 8.4402E-04 4.66E-08
8.50E-01 3.00E-03 -3.1019E-02 5.91E-05 2.4965E-03 4.99E-07
8.50E-01 5.00E-03 -5.1901E-02 7.53E-05 4.1003E-03 5.05E-07
8.50E-01 7.00E-03 -7.2834E-02 1.34E-04 5.6565E-03 7.96E-07
8.50E-01 9.00E-03 -9.3973E-02 1.29E-04 7.1641E-03 2.24E-06
8.50E-01 7.76E-01 -5.5121E+00 4.55E-04 6.7714E-03 1.77E-03
8.50E-01 7.80E-01 -5.5386E+00 7.26E-04 4.7924E-02 3.18E-03
8.50E-01 8.20E-01 -5.7947E+00 6.03E-04 5.5355E-01 4.13E-03
8.50E-01 8.60E-01 -6.0305E+00 2.38E-03 1.2660E+00 1.36E-02
8.50E-01 9.00E-01 -6.2391E+00 5.27E-03 2.2314E+00 2.72E-02
9.00E-01 1.00E-03 -9.9165E-03 1.89E-05 8.9429E-04 2.48E-08
9.00E-01 3.00E-03 -2.9787E-02 3.21E-05 2.6485E-03 2.54E-07
9.00E-01 5.00E-03 -4.9771E-02 3.80E-05 4.3569E-03 2.19E-07
9.00E-01 7.00E-03 -6.9805E-02 7.66E-05 6.0193E-03 1.02E-06
9.00E-01 9.00E-03 -8.9936E-02 2.44E-05 7.6363E-03 1.44E-06
9.00E-01 7.76E-01 -5.4689E+00 4.20E-04 2.4056E-01 2.74E-03
9.00E-01 7.80E-01 -5.4956E+00 7.86E-04 2.7851E-01 2.97E-03
9.00E-01 8.20E-01 -5.7456E+00 7.51E-04 8.2386E-01 2.85E-03
9.00E-01 8.60E-01 -5.9753E+00 5.53E-04 1.5781E+00 3.29E-03
9.00E-01 9.00E-01 -6.1773E+00 1.57E-03 2.5848E+00 9.54E-03


Uncertainties were obtained from block averages of 5.0E7 trials and correspond to 67% confidence limits (one standard deviation). The maximum particle displacement was adjusted to maintain an acceptance ratio of 0.40. The pressure was calculated using the virial expression.