Welcome to CN4122/E

Process Synthesis and Simulation

Karimi
E5 02-12
6516-6359
cheiak@nus.edu.sg

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Module Learning Outcomes

Describe data, steps, and considerations for process simulation.
Define and develop block flow diagrams (BFDs), process flow

diagrams (PFDs), and process flowsheets.

Select appropriate equipment for common unit operations and
sequence them to construct feasible BFDs & PFDs.

This is called process synthesis.

Simulate steady-state continuous processes using a commercial

process simulator.
Describe the steps and considerations in process design.
Perform mechanical design of key process equipment.
Estimate the capital and operating costs, and assess the
profitability of chemical processes.

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Intangible Learning Outcomes

Confidence Refresh, apply, and practice hands-on
Previous principles, concepts, knowledge, methods, and skills
New state-of-the-art commercial tool such as Aspen Hysys
New rules of thumbs, heuristics, and procedures

Problem-solving approach Logical, step-wise, systematic

Tutorial exercises ask what, why, how, when, etc.

Self-learning Seek information and knowledge (internet,

books, software, etc.)

Self-check Debug your efforts (Where did you go wrong?)
Self-reliance Understand, analyze, judge, justify, & select

Look to self for right/wrong

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Process Simulation Learning Outcomes

Define chemical process simulation with an example.
List the data and steps required for and outputs from process
simulation.

Understand the role of computers in process simulation.

Define process simulator & list its uses.
List some commercial process simulators.
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What is Process Simulation?

Mimic or predict the performance of a chemical process on a computer
(Steady or unsteady state)

Compute internal process streams

(Find F, P, T, x, y, f, H, H, , k, , ...)

Given
Process
Input
Streams
(P, T, F, x, )

Compute
Process
Output
Streams

Structure, Units, Design Data, & Operating Conditions

(Stages, area, efficiency, power, conversion, etc.)
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Input, Output, & Internal Streams

Process
Inputs

Process
Outputs

Internal Streams
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Mixing of Streams in a T-Joint

Water (100 kg/s, 1 atm, 95 C)
Mixture?
Ethanol + Water (50:50, 150 kg/s, 1 atm, 83 C)

Process (Equipment) Flow Diagram (PFD) or Flowsheet

Water

Mixing

Mixture?

Ethanol + Water

Block (Operation) Flow Diagram (BFD)

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Process Information
What do we know? (Known variables)
Fully specified input streams

Pressure (P), Temperature (T), Composition (x), Total flow (F)

What do we NOT know? (unknown variables)

Output stream: P? F? x? T?
No internal streams

What else is unknown?

Phase fractions? (wt% vapor, wt% liquid)

Physical properties
Boiling points, latent heats, enthalpies, viscosities, densities, thermal
conductivities?

How can we compute the unknowns?

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Output Stream Unknowns?

Total mass flow: Procedure? Assumptions 1 and 2?

Total mole flow: Procedure? Assumption?
Stream composition: Procedure? Assumption?
Temperature: Procedure? Assumptions 1, 2, and 3?
Vapor fraction: Procedure? Assumption?
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Output Stream Pressure?

Procedure? Do you need any data?
Data 1? Data 2?
For simplicity, make two assumptions
Assumption 1?
Assumption 2?

P > 1 atm? Why?

P = 1 atm? Why?
P < 1 atm? Why?
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Other Unknowns?
Phase fractions of input streams?
Viscosities?
Thermal conductivities?
Latent heats?
What do you need for all of the above?

Correlations for thermophysical properties

Mixing rules

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What Did We Do?

Given partial information: Fully specified inputs

Assumptions: Steady state, prefect mixing, VLE,
Equipment parameters: diameters, elevations,
Used mathematical models and scientific laws to compute the
unknown information about the process

Basic laws: MB and EB

Physical property methods & correlations: PVT, VLE, enthalpy, heat

capacity, viscosity, density, .... (Fluid package)

Reaction data: conversion, equilibrium, rate expressions, ... (Reaction Model)

This is chemical process simulation (steady state mixing)!!

Manual simulation: Time-consuming, error-prone, inaccurate

Why not use computers? (Birth of a process simulator)

Automated, fast, and rigorous

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Process Simulator
A multi-purpose software tool that provides
an interactive & integrated environment for several tasks such as
simulation (steady/dynamic), sizing, costing, optimization,
control, on-line analysis, improvement, etc.

Easy to use and learn with a nice GUI

No programming: In-built property packages save lots of time
and effort

Huge gains in efficiency and rigor vs. manual procedure

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Common Process Simulators

Aspen-Plus (Aspentech Inc., Cambridge, USA)

Most widely used and versatile in range and application

Aspen-Hysys (Hyprotech Inc., Calgary Aspentech Inc.)

Unisim (Hyprotech Inc., Calgary Aspentech Inc. Honeywell
Inc.)
ProMax (Bryan Research & Engineering Inc, Bryan, Texas)

Processes involving amines and sour streams

Pro/II (Simulation Sciences Inc., California)

ProSimPlus (Prosim Inc., Labege, France)
CHEMCAD (Chemstation Inc., Houston)
gPROMS (PSE Ltd, London)
Aspen-Plus, Hysys, Pro/II are the most common in local industry

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