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UID:c3706ce6312975535eb980bea358a84d
CATEGORIES:Mathematical Physics Seminar
CREATED:20240416T124251
SUMMARY:In-Person: Alexander Neimark - Mesocanonical Ensemble to Study Equilibrium and Hysteretic Transitions in Confined Nanophases
LOCATION:Hill 705
DESCRIPTION:IN-PERSON MATHEMATICAL PHYSICS SEMINAR\nAlexander Neimark - Rutgers Univers
ity\nDate/Time/Location\n\n Thursday, April 25th, 12:10pm; Hill Center 705\
nMesocanonical Ensemble to Study Equilibrium and Hysteretic Transitions in
Confined Nanophases\nPhase transitions in fluids confined by nanoscale cons
traints are affected by geometric restrictions and guest-host interactions.
Nanophase transitions, which demonstrate characteristic signatures of 1st
order phase transitions, often involve long-lasting metastable states and h
ysteresis that is well-documented in gas adsorption-desorption experiments
with various nanoporous materials. From the positions of statistical mechan
ics, a rigorous interpretation of these observations represents a fundament
al problem. Nanoscale systems are essentially small, finite volume systems,
in which the thermodynamic functions are analytical so that the very defin
ition of phase transitions should be revisited. The concept of the thermody
namic limit is no longer valid, and the statistical ensembles (canonical an
d grand canonical) are not equivalent. The mesoscopic canonical, or mesocan
onical, ensemble (MCE) is devised to study the nanophase behavior under con
ditions of controlled fluctuations that allows to stabilize metastable and
labile states. In the MCE, the system of interest (fluid confined a nanopor
e, or a system of nanopores) is considered in equilibrium with a reservoir
of limited volume, called the gauge cell, which controls the allowable leve
l of density fluctuations. In this respect, the MCE is a middle ground bet
ween the grand canonical ensemble, which permits unlimited density fluctuat
ions, and the canonical ensemble, which considers a close system. The MCE M
onte Carlo simulations produce van der Waals type isotherms with distinctiv
e swings around the phase transitions regions. The constructed isotherms d
etermine the positions of phase equilibrium, spinodals, and nucleation barr
iers for observed phase transitions. Advantages of the MCE method is demons
trated on various examples of adsorption and capillary condensation on nano
porous systems, focusing on quantitative description of available experimen
tal data.\n
X-ALT-DESC;FMTTYPE=text/html:**IN-PERSON MATHEMATICAL PHYSICS SEMIN
AR**

**Alexander Neimark - Rutgers University**

**Date/Time/Location**

Thursday, **April
25th****, 12:10pm; Hill Center 705**

**Mesocanoni
cal Ensemble to Study Equilibrium and Hysteretic Transitions in Confined Na
nophases**

Phase transitions in fluids confined by nanoscale c
onstraints are affected by geometric restrictions and guest-host interactio
ns. Nanophase transitions, which demonstrate characteristic signatures of 1
st order phase transitions, often involve long-lasting metastable states an
d hysteresis that is well-documented in gas adsorption-desorption experimen
ts with various nanoporous materials. From the positions of statistical mec
hanics, a rigorous interpretation of these observations represents a fundam
ental problem. Nanoscale systems are essentially small, finite volume syste
ms, in which the thermodynamic functions are analytical so that the very de
finition of phase transitions should be revisited. The concept of the therm
odynamic limit is no longer valid, and the statistical ensembles (canonical
and grand canonical) are not equivalent. The mesoscopic canonical, or meso
canonical, ensemble (MCE) is devised to study the nanophase behavior under
conditions of controlled fluctuations that allows to stabilize metastable a
nd labile states. In the MCE, the system of interest (fluid confined a nano
pore, or a system of nanopores) is considered in equilibrium with a reservo
ir of limited volume, called the gauge cell, which controls the allowable l
evel of density fluctuations. In this respect, the MCE is a middle gr
ound between the grand canonical ensemble, which permits unlimited density
fluctuations, and the canonical ensemble, which considers a close system. T
he MCE Monte Carlo simulations produce van der Waals type isotherms with di
stinctive swings around the phase transitions regions. The constructe
d isotherms determine the positions of phase equilibrium, spinodals, and nu
cleation barriers for observed phase transitions. Advantages of the MCE met
hod is demonstrated on various examples of adsorption and capillary condens
ation on nanoporous systems, focusing on quantitative description of availa
ble experimental data.

DTSTAMP:20240713T144031
DTSTART;TZID=America/New_York:20240425T121000
DTEND;TZID=America/New_York:20240425T131000
SEQUENCE:0
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