opening new doors with chemistry think simulation! 24 th conference october 23-24, 2007 esp and the...
TRANSCRIPT
Opening new doors with ChemistryTHINK SIMULATION!
24th Conference October 23-24, 2007
ESP and the OLI Engine Updates
Robert Young
THINKSIMULATION
Think SIMULATION!
What is the OLI Engine?
Non-linear equation solver■ Newton-Raphson method
Thermodynamic property methods■ Helgeson equation of state■ Bromley activity coefficient model■ MSE activity coefficient model■ SRK equation of state
THINKSIMULATION
Think SIMULATION!
What Products Use the OLI Engine?
Every OLI product uses the ENGINE■ ESP■ All of the Analyzers■ All Alliance Products
◊ UniSim OLI◊ PROII Electrolytes◊ Aspen OLI◊ HYSYS OLI
■ ScaleChem■ ProChem
THINKSIMULATION
Think SIMULATION!
Engine Updates
Mixed-Solvent Electrolytes (MSE)■ Pseudo-components added■ Expanded databank
◊ 1328 species◊ Organics added
THINKSIMULATION
Think SIMULATION!
Engine Updates (cont)
Petroleum pseudo components■ A single pseudo-component■ Assays
◊ ASTM D86 data◊ D1160 data◊ D2887 data◊ TBP data
THINKSIMULATION
Think SIMULATION!
Engine Updates (cont)
Kinetics■ Reference State Equilibrium Constant
◊ Mole fraction reference state◊ K-Value made available to Kinetic Interface
THINKSIMULATION
Think SIMULATION!
Engine Updates (cont)
Transport Properties■ Gas Phase
◊ Added Viscosity◊ Added Thermal Conductivity◊ Added Diffusivities
■ Liquid Phase◊ Electrical Conductivity◊ Diffusivities◊ Viscosity
THINKSIMULATION
Think SIMULATION!
Engine Updates (cont)
Calculation speed■ Added MSE two liquid phase initializer■ Added solid inclusion initializer
THINKSIMULATION
Think SIMULATION!
What is ESP?
Environmental Simulation Program■ Plant flowsheeting program■ Sequential modular approach■ Available unit operations
◊ Mixer and Splitters◊ Distillation Columns◊ Reactors (including Bio-reactors)◊ Neutralizers◊ Heat Exchangers◊ Compressors
THINKSIMULATION
Think SIMULATION!
ESP Updates
Mass Transfer Limited Tower■ Calculation of Mass Transfer Coefficients
◊ Packed Towers (Billet and Schultes)◊ Sieve Trays◊ Bubble Cap◊ Valve Trays
■ User Added Mass Transfer Coef routine■ Calculation of Heat transfer Coefficient
THINKSIMULATION
Think SIMULATION!
Column Stage
Lj
Lj
ji
j
T
H
x
L
1
1
1,
1
LjQ
Lj
Lji HFD ;,
Vj
Vji HFD ;,
Vj
Vj
ji
j
T
H
y
V
1
1
1,
1
Vj
Vj
ji
j
T
H
y
V
,
Lj
Lj
ji
j
T
H
x
L
,
VjQ
Vapor side draw
Liquid side draw
iN
E
Liquid Vapor
VjiSD ,
LjiSD ,
THINKSIMULATION
Think SIMULATION!
Mass Transfer Limited Tower
Vapor Moles Transferred■ Ni=VMTCi*Area*(YBi-YIi)
Liquid Moles Transferred■ Ni=LMTCi*Area*(XIi-XBi)■ Where:
◊ Ni - moles transferred◊ VMTCi - Vapor side mass transfer coefficient◊ LMTCi - Liquid side mass transfer coefficient◊ Area - Interfacial area
THINKSIMULATION
Think SIMULATION!
Mass Transfer Limited Tower
Vapor – Liquid Equilibrium■ YIi = Ki*Xii
Mass Transfer Coefficient Calculation■ Packed towers
◊ Billet and Schultes◊ TransIChemE, Vol 77◊ September 1999
∆Mass transfer coefficient is a function of:» Packing type and size» Transport properties» Phase density and flow rate
THINKSIMULATION
Think SIMULATION!
OLI Alliance Engine
What is the OLI Alliance Engine?■ Callable Interface to OLI Engine
◊ Supports typical flash types∆ Temp, Press∆ Bubble point∆Dew point∆ Vapor, Press∆ Enthapy, Press∆ Etc.
THINKSIMULATION
Think SIMULATION!
OLI Alliance Engine (Cont)
Honeywell’s Unisim■ Supports both Aqueous and MSE models■ Contains OLI tower program■ Contains OLI mass transfer tower■ User Interface for OLI PRO■ Pseudo components and Assays■ Last update Sept 2007 (OLI version 7.0)
THINKSIMULATION
Think SIMULATION!
OLI Alliance Engine (Cont)
Aspen Plus and OLI■ Supports Both Aqueous and MSE models■ Contains OLI Tower program■ Pseudo components and assays■ OLI Engine is a Property Option in Aspen■ Last update July 2007 (OLI version 7.0)
THINKSIMULATION
Think SIMULATION!
OLI Alliance Engine (Cont)
Aspen HYSYS and OLI■ Supports Aqueous model■ Contains OLI Tower program■ Implemented as a fluid package■ Last update 2003 (OLI version 6.6)
THINKSIMULATION
Think SIMULATION!
OLI Alliance Engine (Cont)
SimSci PRO/II■ Contains both Aqueous and MSE models■ Last update July 2006 (OLI version 7.0)