𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Monte carlo simulations of liquid water between two rigid walls

✍ Scribed by B. Jönsson


Publisher
Elsevier Science
Year
1981
Tongue
English
Weight
534 KB
Volume
82
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

✦ Synopsis


Xlonte Carlo simulations in the MJ7T-ensemble have been performed on liquid mater between two rigrd walk. Variations m denstty and in ortentation of water molecules have been calculated as a function of distance from the walls. OscilJations in .I number of properties have been found and extend severa moIecuku diameters from the walls. The results are compared with nmuhttons on non-polar solutes in water.


📜 SIMILAR VOLUMES


Monte Carlo simulation of two interactin
✍ Dan W. Hawley; J.M.D. Macelroy; J.-C. Hajduk; X.B. Reed Jr. 📂 Article 📅 1985 🏛 Elsevier Science 🌐 English ⚖ 458 KB

Rcccived 20 February 19B5 TWO interactrng Equrd/vapor interfauzs are modelled via a grand canonical Monle Cal;0 simularion of a Lennard-Jon= 12-6 fluid. The resulmg dcnsiry profiles and interracial free energies suggest tlla~ at a cnrical separation equal IO or greater than four atomic diameters. an

Convergence of Monte Carlo simulations o
✍ William L. Jorgensen 📂 Article 📅 1982 🏛 Elsevier Science 🌐 English ⚖ 465 KB

Long Monte cylo ~tirr~ils of liqud w;~tcr at ZYC ;Lnd 1 arm hnrc brcn cxrlcd out IO study the conrergcnce chsracteristics of tic calcuhlrons. The rccenrly reported TIPS2 potenti was cmploycd ~7th system WCS oi I25 md 2 16 monomers. The cnthalpy, volume and radnl dlsmbunon fuunchons converge npldly a

Some properties of rigid cores with flex
✍ Andrzej Koliński 📂 Article 📅 1985 🏛 Elsevier Science 🌐 English ⚖ 373 KB

The combmatonal entropy of two-dImensIonal triangular lattxe systems conmung of ngd cores with llexlble tails was calculated by means of the Monte Carlo method. Large lfferences between the mean-field predlctlon and Monte Carlo data were observed Systems of molecuks ~tb suffinently long core undergo