Adsorption hysteresis in mesopores.

Slides:



Advertisements
Similar presentations
Electrolyte Solutions - Debye-Huckel Theory
Advertisements

Lecture 20. Adsorption Phenomena
Propagation of polariton fluids and its control Tomas Ostatnický, Alexey V. Kavokin.
Statistical Physics Approach to Understanding the Multiscale Dynamics of Earthquake Fault Systems Theory.
1 Fluid adsorption in mesopores: critical remarks on the validity of thermodynamics for confined systems Harald Morgner Wilhelm Ostwald Institute for Physical.
Catalysis and Catalysts - Physical Adsorption Physical Adsorption  Texture and morphology –pore size –pore shape –pore-size distribution (same size or.
1 Time dependent aspects of fluid adsorption in mesopores Harald Morgner Wilhelm Ostwald Institute for Physical and Theoretical Chemistry Leipzig University,
Preliminary Results of Pembina Cardium Core Analysis C.R. Clarkson and N. Solano (PhD Candidate) T O C © TOC, 2011.
– Bad Honnef – 2006 –  – Anomalous Transport – Bad Honnef – 2006 –  – Anomalous Transport – Bad Honnef – 2006 – – Bad Honnef – 2006 –  – Anomalous Transport.
Jan – Dec, 2006 University of Alaska – Fairbanks Pacific Northwest National Laboratory British Petroleum Exploration Alaska Injection of CO 2 for Recovery.
Influence of filler properties on the mechanical failure of a polymer nanocomposite A. Kutvonen, G. Rossi, T. Ala-Nissilä Multiscale Statistical Physics.
8.5 The Helmholtz Function The change in internal energy is the heat flow in an isochoric reversible process. The change in enthalpy H is the heat flow.
Adsorption Modeling of physisorption in porous materials Part 2 European Master Bogdan Kuchta Laboratoire MADIREL Université Aix-Marseille.
The Calculation of Enthalpy and Entropy Differences??? (Housekeeping Details for the Calculation of Free Energy Differences) first edition: p
ADSORPTION. Surface Activity of Solutes Solute, c  oo Solutes that decrease surface tension are called “surfactants”  Solute, c.
Phase Transitions: Liquid- Liquid Unmixing– Equilibrium Phase Diagram Soft-Condensed Matter Department of Physics,Tunghai-University.
ADSORPTION ISOTHERMS discontinuous jumps: layering transitions some layering transitions coexistence pressure monolayer condensation bilayer condensation.
Now we introduce a new concept: fugacity
Chapter 9 Thermodynamics.
Introduction to (Statistical) Thermodynamics
Ch. 9 K&K: Gibbs Free Energy and Chemical Reactions Recall (ch. 8): Free energyconditions. Helmholtz F isothermal Enthalpy H constant pressure Gibbs G.
1 Lecture 2 Summary Summary 1) The Zeroth Law: Systems that have no tendency to transfer heat are at the same temperature. 2) Work: A process which transfers.
Chapter 15 Thermodynamics.
Contact line dynamics of a liquid meniscus advancing in a microchannel with chemical heterogeneities C. Wylock1, M. Pradas2, B. Haut1, P. Colinet1 and.
Brookhaven Science Associates U.S. Department of Energy MUTAC Review January 14-15, 2003, FNAL Target Simulations Roman Samulyak Center for Data Intensive.
4.The Grand Canonical Ensemble 1.Equilibrium between a System & a Particle-Energy Reservoir 2.A System in the Grand Canonical Ensemble 3.Physical Significance.
Progress in Understanding Fluids in Mesopores Harald Morgner Wilhelm Ostwald Institute for Physical and Theoretical Chemistry Leipzig University, Linnéstrasse.
Physical and chemical equilibrium of CO2-Water-Mineral system using Aspen Plus process simulator Technical University of Delft Ali Akbar Eftekhari Hans.
High-Pressure Vapor-Liquid and Vapor-Liquid-Liquid Equilibria in the Carbon Dioxide + 1-Nonanol System Catinca Secuianu, Viorel Feroiu, Dan Geană Dept.
A new ansatz for thermodynamics of confined systems Harald Morgner Wilhelm Ostwald Institute for Physical and Theoretical Chemistry Leipzig University,
Fluid-substrate interactions; structure of fluids inside pores.
Thermodynamic functions of non- ideal two-dimensional systems with isotropic pair interaction potentials Xeniya G. Koss 1,2 Olga S. Vaulina 1 1 JIHT RAS,
Adsorption Modeling of physisorption in porous materials Part 1 European Master Bogdan Kuchta Laboratoire MADIREL Université Aix-Marseille.
The Study Of Statistical Thermodynamics In Melting of Atomic Cluster Pooja Shrestha.
Monte Carlo in different ensembles Chapter 5
Chemical Equilibrium By Doba Jackson, Ph.D.. Outline of Chpt 5 Gibbs Energy and Helmholtz Energy Gibbs energy of a reaction mixture (Chemical Potential)
Thermodynamics of Associating Fluids 1. Chains of molecules Many molecules are not spherical, but could be represented as consisting of connected spherical.
Contact line dynamics of a liquid meniscus advancing into a microchannel with chemical heterogeneities C. Wylock 1, M. Pradas 2, B. Haut 1, P. Colinet.
Other Partition Functions
Option B - Thermodynamics Year 13 SL Physics. Thermodynamics System – Environment of activity Surroundings – Factors impacting the system Boundary (wall)
1 Statistical Mechanics and Multi- Scale Simulation Methods ChBE Prof. C. Heath Turner Lecture 19 Some materials adapted from Prof. Keith E. Gubbins:
Chapter 15 Thermodynamics Thermodynamic Systems and Their Surroundings Thermodynamics is the branch of physics that is built upon the fundamental.
Examples other partition functions. Example 1. Show that For a grand canonical ensemble but we don’t know which thermodynamic property is related wi th.
1 Calculation of Radial Distribution Function (g(r)) by Molecular Dynamic.
Chapter 18: The Laws of Thermodynamics  Thermodynamics is the study of heat and work  We have already discussed the 3 rd law - It is impossible to lower.
Capillary Pressure and Saturation History Capillary Pressure in Reservoir Rock .
Grace Levine.
Modelling immiscible displacement in porous rocks with LBM models
Solar collectors for water heating
On the understanding of self-assembly of anisotropic colloidal particles using computer simulation methods Nikoletta Pakalidou1✣ and Carlos Avendaño1 1.
ADSORPTION The removal of dissolved substances from solution using adsorbents such as activated carbon.
School for PhD June 8-12, 2015 Luigi PASQUA
Effects of Air Pressure and Wettability on Drop Impact on Dry Surfaces Taehun Lee, Department of Mechanical Engineering, City University of New York,
Laws of Thermodynamics (Part-1)
On the understanding of self-assembly of anisotropic colloidal particles using computer simulation methods Nikoletta Pakalidou1✣ and Carlos Avendaño1 1.
Universe = system (Ur) and reservoir (Ur,Tr) constrained by U0=Ur+Us
Chem. Eng. Thermodynamics (TKK-2137)
Possible Changes of State
Quasistatic processes The relation of heat and work
Phase diagrams by thermodynamic calculations
Behavior of Gases Byeong-Joo Lee Thermodynamics POSTECH - MSE
Chapter 18,19and20 Thermodynamics.
Capillary Pressure and Saturation History Capillary Pressure in Reservoir Rock .
Second Law of Thermodynamics
Lattice gas with interactions
Chem. Eng. Thermodynamics (TKK-2137)
The Grand Canonical Ensemble
Biointelligence Laboratory, Seoul National University
Capillary Pressure and Saturation History Capillary Pressure in Reservoir Rock .
Chemical Equilibrium Mass transfer takes place from higher chemical potential to lower chemical potential. If the chemical potential of reactants are.
Presentation transcript:

Adsorption hysteresis in mesopores. Remarks on the thermodynamic nature of the states within the hysteresis loop R.Rockmann, PhD Thesis 2007, U Leipzig

Simulation Method: convolution function method, f(r)  V(r) * g(r) physical concept akin to DFT 3 parameters for EOS of fluid 1 parameter for range of fluid/fluid interaction 2 parameters for range and strength of fluid / wall interaction

lowering grand potential W Thermodynamics EOS + equilibrium states + metastable state lowering grand potential W lowering free energy A coexistence of two phases

Simulation: cylindrical pore in physical contact with gas reservoir gas phase gas phase

Simulation: adsorption in cylindrical pore of infinite length  EOS gas phase

Simulation: finite pore length, isotherm

Simulation: finite pore length, isotherm (desorption, volume controlled)

Simulation: finite pore length, isotherm (adsorption, volume controlled)

Simulation: finite pore length, isotherm, dynamics of pressure jump

Simulation: finite pore length, isotherm, 2 states of different topology contr. chem. pot. contr. volume contr. amount

Feedback: Privacy Policy Feedback
Do Not Sell My Personal Information
About project: SlidePlayer Terms of Service

© 2025 SlidePlayer.com. Inc. All rights reserved.