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Overview of Solids Modeling for Chemical Processes

This paper describes a new approach for incorporating granular solids and the corresponding solids processing steps when
modeling chemical processes. Modeling the solids section of a process is important for many common processes including
specialty chemicals, agrochemicals, metals and mining, pharmaceuticals, biofuels, and more. The main challenges that arise
when optimizing or troubleshooting a solids process include inefficient designs due to separate modeling of fluids and solids
sections, overdesign of equipment, high-energy demands, reduced yields, and quality variability.

I n addition to fluids, many industrial processes involve

solids processing steps that often have a significant in-
fluence on the overall process performance, product qual-
ity, or energy demand. In general, the solids section of an
industrial process has to fulfill one or more of the follow-
ing tasks: formulate particles (e.g. granulation, crystalli-
zation), adjust the moisture content (e.g. drying), change
the composition by chemical reactions (e.g. fluidized bed
AUTHORS
Jennifer Dyment, Product Marketing, Aspen Technology, Inc.
Claus Reimers, Product Management, Aspen Technology, Inc.
Ron Beck, Product Marketing, Aspen Technology, Inc.
reactor), adjust the particle size distribution (crushing/
grinding, classifying, compacting) and separate solids
from fluids (e.g. cyclone, centrifuge). In developing a pro-
cess with a solids section that addresses one or more of
the mentioned tasks, four main interconnected challenges
typically arise:
Separate design of fluid and solid sections of a process
The influence of the solids section on the overall pro-
cess performance is often neglected, as described by use
of simple splitter models or by use of spreadsheet tools or
in-house codes. Process engineers model the fluid part of
a process in a simulator, such as Aspen Plus, while par-
ticle scientists within the same company model the solids

Chemical Industry Digest. March 2014

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 Infocus
Fig.1. Solids unit operations available in Aspen Plus V8.4
Aspen Plus users can, without any additional software
costs, model processes that contain both fluids and solids
in one simulation environment using consistent physical
properties and avoiding errors and inefficiencies that may
result from the transfer of data from one simulation system
to the other.
part of the process in a spreadsheet tool, such as Microsoft
Excel®. In general, this approach may lead to errors and
inefficiencies due to data transfer, different stream struc-
tures or inconsistent physical properties. Optimization of
the overall process is more or less impossible by use of
this workflow.
Capital costs due to overdesigned equipment
To reduce the risk of bottlenecks, equipment is often
designed in excess leading to exaggerated capital costs.
Rigorous modeling can allow for appropriately sized sol-
ids processing equipment and reduced recycle streams to
minimize the load of the equipment. Examples of solids
processing equipment that is often overdesigned include
crushers, compactors, and dryers.
Operating costs due to high-energy demands
For many applications, intermediate or final prod-
ucts need to fulfill very tight specifications regarding
their moisture content to be used for subsequent process
Chemical Industry Digest. March 2014
steps or to be sold as final products. To
ensure that particles are dried to contain
adequately low moisture energy may be
used in excess, especially if the drying
process itself contains recysles. By mod-
eling the drying process rigorously and
in the context of the overall production
process, substantial energy savings may
be unlocked (up to 30% has been report-
ed in the case of drying) by determining
optimal drying agent flow rates and tem-
peratures.
Reduced throughput and quality of the product
The design of a profitable process
hinges on the throughput and the qual-
ity of the final product. The formulation
of particles is anexample of where both
quality and quantity can be improved.
Starting from a solution or slurry, par-
ticles are formulated with the aim to pro-
duce a dust-free, free-flowing powder with well-defined
properties. This is done in most cases by crystallization,
granulation/agglomeration, or spray drying and may
contain a subsequent grinding and classification step
with solids recycles back to the formulation step. The de-
sign and operating conditions of these units have a sig-
nificant influence on the product quality (PSD, moisture)
and the throughput of the process.
In most cases, the solids section is only a part of an
overall production process, but may have a significant in-
fluence on the overall process performance and the qual-
ity of the final product.
New Workflow: A Holistic Fluid and Solids Model in One
Simulation Environment
In response to a lack of an industrial simulator to rig-
orously model the solids section of an industrial process,
the standalone solids simulator SolidSim was developed
by solids experts and industry participants in Germany in
the early 2000s to 2010 timeframe. SolidSim introduced a
generally applicable flowsheet simulation system to rig-
orously describe granular solids and the machines and
apparatuses of particle technology.3
In February 2012, Aspen Technology acquired
SolidSim Engineering GmbH, the company that was de-
veloping and marketing SolidSim. With the release of
Aspen Plus V8 in December 2012, the Aspen Plus model
library was enhanced with the SolidSim technology in-
corporating unit operations models, including models for
drying, crystallization, granulation and agglomeration,
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vironment using consistent physical proper-

ties and avoiding errors and inefficiencies that
may result from the transfer of data from one
simulation system to the other. Considering
the entire process, rather than only smaller
subsections, allows the user to avoid sub-
optimal design due to localized optimization.
By overcoming this challenge, as well as intro-
ducing detailed solids modeling, users can ad-
dress high capital due to overdesign, high en-
ergy and other operating costs, and improve
product quality and throughput.
One example of this more holistic work-
flow is the process model of the entire urea
production process. Since this model describes
Figure 2: Comparison of the calculated separation efficiency curve for the conceptual centrifuge the upstream urea synthesis (fluid part) and
model and the rigorous decanter model. the downstream urea granulation section (sol-
ids part), the influence of
crushing and grinding, each part is considered in
classification, gas / solid, a rigorous way. If, for ex-
With conceptual models, process engineers that are not ample, the air flow rate to
and solid liquid separation. savvy with solids modeling can be eased into learning
In addition, an easy-to-use the fluidized bed coolers in
how to use the capabilities. Another great opportunity the granulation section of
workflow for the definition
of particle size distribu- that the conceptual models offer is the possibility that the urea process needs to be
tions was introduced with process engineers and particle scientists can collaborate increased, this will lead to a
an enhanced results repre- more closely. higher entrainment of fines
sentation that allows visu- from the coolers. The en-
alizing particle size distri- trained particles will be re-
butions (e.g. cumulative, moved from the gas stream
density, or RRSB) and apparatus-specific results with by the venturi scrubber, dissolved in the wash liquid, and
the click of a button. Also, characteristic diameters such then recycled back to the synthesis section. Therefore, the
as d25, d50, or the Sauter Mean Diameter (SMD) are now change of the air flow rate to the cooler will have an influ-
shown in Aspen Plus in the stream results. ence on the upstream urea synthesis which will then have
an impact on the downstream solids part.
This enhancement enables the user of Aspen Plus,
without any additional software costs, to model processes Solids Modeling Unit Library
that contain both fluids and solids in one simulation en-
The new solids modeling library is a
combination of the legacy solids model-
ing unit operations available in Aspen Plus
V7 and the new models introduced from
SolidSim. Currently, seventeen new or im-
proved solids unit operations are available,
as shown in Figure 1, allowing to model
over 70 different equipment models. The
conveying and fluidized bed models were
introduced with AspenPlus V8.2 and the
spray dryer model and the ability to model
reactions in the fluidized bed model was in-
troduced with V8.4.

Moving from Conceptual to Rigorous

To further streamline the workflow, new
conceptual models have been introduced
Figure 3. A workflow showing the holistic process model of the urea synthesis and granulation

Chemical Industry Digest. March 2014

 Infocus
Aspen Plus supports integrated workflows, such as Acti-
vated Economics (for estimating capital and operating
cost) and Activated Energy Analysis (for pinch analysis),
as well as Activated Exchanger Design and Rating (for
sizing and rating heat activated exchangers).
with Aspen Plus V8.4. The conceptual models are an en-
hancement of the existing solids blocks in Aspen Plus and
allow users to model solids processing steps at different
levels of fidelity from conceptual to rigorous without
changing the structure of the flowsheet. With conceptual
models, process engineers that are not savvy with solids
modeling can be eased into learning how to use the capa-
bilities.
Another great opportunity that the conceptual models
offer is the possibility that process engineers and particle
scientists can collaborate more closely. When setting up
the model of a combined fluids and solids process, the
process engineer can use the conceptual models to de-
scribe the solids section of the process. After having the
first simulation results, the process engineer can decide
what parts of the solids section need to be modeled more
rigorously, and if necessary, ask the particle scientist to
help select and parameterize the rigorous model.
For example, a decanter centrifuge can be described
by use of a conceptual model. In this case, the user defines
the split of the solids and liquid and the separation sharp-
ness (slope of the separation curve). The model will then
calculate a separation curve based on the settling velocity
of the particles and the user input, meaning that already
with the conceptual model, the governing classification
characteristic is considered. If the user decides to describe
the centrifuge in more detail, he can switch to the rigor-
ous decanter model without changing the structure of the
flowsheet.
The user can then define the geometry of the centri-
fuge and select from different options to describe the
classification and the deliquoring that takes place in the
centrifuge. The centrifuge model will then calculate the
separation efficiency curve based on the more rigorous
model. A comparison of the calculated separation effi-
ciency curve using the conceptual and the rigorous model
is shown in Figure 2. The plot shows that the conceptual
model predicts the classification in the centrifuge with ac-
curacy that may be sufficient for different use cases.
From Sequential to Simultaneous Conceptual Design
Aspen Plus is surrounded by a suite of integrated prod-
ucts called aspenONE engineering. Aspen Plus supports
Chemical Industry Digest. March 2014
integrated workflows, such as Activated Economics (for
estimating capital and operating cost) and Activated
Energy Analysis (for pinch analysis), as well as Activated
Exchanger Design and Rating (for sizing and rating heat
exchangers). By modeling solids using Aspen Plus, users
have access to these features.
Use in the Industry
Although Aspen Plus V8 with solids has only been
available to customers since December 2012, usage of
solids modeling in Aspen Plus has grown at a surpris-
ingly fast rate. Over 140 organizations have started using
solids modeling in Aspen Plus, including several of the
world’s largest chemical companies.5
References
1. J.Y. Zhu, X.J. Pan, Woody biomass pretreatment for
cellulosic ethanol production: Technology and energy
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http://dx.doi.org/10.1016/j.biortech.2009.11.007.
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cellulosic ethanol production: Technology and energy
consumption evaluation, Bioresource Technology,
Volume 101, Issue 13, July 2010, Pages 4992-5002,
ISSN 0960-8524,
http://dx.doi.org/10.1016/j.biortech.2009.11.007.
3. Aspen Technology. “Aspen Technology acquires
SolidSim Engineering GmbH. Press Release.
February 29th, 2012.
(http://www.aspentech.com/news/solidsim/press-re-
lease/)
4. Werther, J., Poggoda, M., Reimers C., Lakshmanan,
A., Beck, R. “Holistic optimization of processes with
solids and fluids using flowsheet simulators” in:
Abstracts and proceedings:.WCPT6 - World Congress
on Particle Technology Nuremburg, Germany, 2013.
(http://reg.mcon-mannheim.de/onlineprogramm-
mmv/render.aspx?kongressID=53&t=a&n=26775&spe
ach=ENG)
5. Dow, David Vickory, Optimize 2013, Boston, MA
Full Version of White Paper
(www.aspentech.com/Solids_Modeling_Chemical_
Processes.pdf)
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