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  <front>
    <journal-meta />
    <article-meta>
      <title-group>
        <article-title>Design and Optimization of Heat Exchangers Using Large Language Models</article-title>
      </title-group>
      <contrib-group>
        <contrib contrib-type="author">
          <string-name>Sandeep Mishra</string-name>
          <xref ref-type="aff" rid="aff0">0</xref>
        </contrib>
        <contrib contrib-type="author">
          <string-name>Vishal Jadhav</string-name>
          <xref ref-type="aff" rid="aff0">0</xref>
        </contrib>
        <contrib contrib-type="author">
          <string-name>Shirish Karande</string-name>
          <xref ref-type="aff" rid="aff0">0</xref>
        </contrib>
        <contrib contrib-type="author">
          <string-name>Venkataramana Runkana</string-name>
          <xref ref-type="aff" rid="aff0">0</xref>
        </contrib>
        <aff id="aff0">
          <label>0</label>
          <institution>Tata Research Development and Design Centre</institution>
          ,
          <addr-line>Pune, Maharashtra</addr-line>
          ,
          <country country="IN">India</country>
        </aff>
      </contrib-group>
      <abstract>
        <p>Heat exchangers (HEs) are essential in process industries for eficient thermal energy transfer. Their design and optimization are crucial for improving energy eficiency, reducing costs, and ensuring reliable system performance. However, these tasks are complex due to varying fluid properties, phase changes, and fouling. This study proposes the HxLLM framework, utilizing Large Language Models (LLMs) to aid in the design and optimization of HEs. The framework identifies the mathematical model for heat transfer in HEs, followed by retrieval-augmented generation (RAG) based code generation and correction. In this study, a repository was created by extracting mathematical models from relevant literature along with common errors observed in such tasks. These repositories, combined with carefully crafted prompts, were used to extract the mathematical model and generate the corresponding code within this framework. We observed that LLMs can efectively identify and generate initial code for mathematical models, though first responses often needed corrections. The RAG approach for code correction significantly enhanced code accuracy. This study demonstrates that LLMs, with a RAG framework, can automate and improve the design and optimization process of HEs, ofering a promising tool for engineers and researchers to achieve better eficiency and cost-efectiveness.</p>
      </abstract>
      <kwd-group>
        <kwd>eol&gt;Heat Exchangers</kwd>
        <kwd>Design and Optimization</kwd>
        <kwd>Large Language Models</kwd>
        <kwd>Retrieval Augmented Generation</kwd>
      </kwd-group>
    </article-meta>
  </front>
  <body>
    <sec id="sec-1">
      <title>1. Introduction</title>
      <p>
        2. Methodology
veyed ChatGPT-related research, highlighting LLM
applications in education, medicine, and physics, driven
by innovations in pre-training and fine-tuning. Kashefi Designing and optimizing a heat exchanger typically
inand Mukerji [
        <xref ref-type="bibr" rid="ref14">23</xref>
        ] directly explore using ChatGPT [
        <xref ref-type="bibr" rid="ref15">24</xref>
        ] volves the following steps: defining the problem,
selectto generate code for numerical algorithms, with promis- ing a design method, optimizing, validating and testing,
ing results. Yao et al[
        <xref ref-type="bibr" rid="ref16">25</xref>
        ] introduces frameworks like the iterating, and implementing. The design method
selec"Tree of Thoughts" enable LLMs to explore multiple rea- tion includes the mathematical formulation describing
soning paths and make global decisions for challenging heat transfer, while optimization involves finding the
tasks. Wang et al.[
        <xref ref-type="bibr" rid="ref17">26</xref>
        ] propose an interactive "chain of optimal design parameters by evaluating various pairs
repairing" approach where LLM agents work together of heat transfer metrics and their corresponding design
to iteratively debug and improve generated code. Xu et parameters.
al.[
        <xref ref-type="bibr" rid="ref18">27</xref>
        ] proposes integrating information retrieval into To mimic real-world scenarios, this study relies on
the LLM reasoning chain for knowledge-intensive tasks, available literature on heat exchanger design and
optienabling the model to dynamically incorporate relevant mization. Initially, some literature texts were provided
information and modify its reasoning trajectory. Addi- as context to the LLM model with prompts to extract
tionally, Li and Mellou [
        <xref ref-type="bibr" rid="ref19">28</xref>
        ] introduce OptiGuide, a frame- mathematical model summaries. These summaries were
work utilizing LLMs to bridge the gap between supply then stored in the mathematical model summary
reposichain automation and human comprehension. Chen et tory. For each of these mathematical models, an expert
al. [
        <xref ref-type="bibr" rid="ref20">29</xref>
        ] present OptiChat, a system equipped with a chat- wrote the Python script to evaluate the mathematical
bot GUI for diagnosing infeasible optimization models model equations. Also, the frequent errors were stored
using natural language interactions. Liu et al. [
        <xref ref-type="bibr" rid="ref21">30</xref>
        ] in- in the code error repository. The details of the
mathetroduce CodeMind, a framework designed to evaluate matical model repository and code error repository are
the code reasoning abilities of LLMs. CodeMind sup- as follows:
ports three code reasoning tasks and shows that while
LLMs can follow control flow constructs and explain how Mathematical Model Repository Our repository, a
inputs evolve to output for simple programs, their per- CSV file, currently contains over 115 entries, organized
formance drops for more complex code. Also Ni and into three columns: ID, Summary, and Code. The
SumBuehler [31] demonstrate how teams of interacting LLM mary section comprises summaries of articles, which
agents can autonomously collaborate to solve mechanics were generated using prompts (Table 1) for research
artiproblems, write code, and incorporate domain knowl- cles. After creating the code for each mathematical model,
edge. Ahmadi Teshnizi et al.[
        <xref ref-type="bibr" rid="ref22">32</xref>
        ] propose OptiMUS, an we processed it through an error correction framework
LLM-based agent for formulating and solving mixed in- to ensure its accuracy. Once refined, the code was added
teger linear programming (MILP) problems from natural to the Code section corresponding to its respective
sumlanguage descriptions. In summary, above studies have mary.
shown their efectiveness of LLMs in creating new
algorithms, enhancing design solutions, improving opti- Code Error Repository This repository is a collection
mization tasks, and generating code. Various frameworks of complex errors that the LLM had dificulty solving,
and approaches, such as LLaMoCo, OptiGuide, and Op- documented as metadata. Each entry includes the error
tiChat, demonstrate LLMs’ capabilities in tackling com- description and its solution, provided as the page content
plex problems, including optimization, code reasoning, of a document object.
and collaborative tasks. We propose the HxLLM framework for LLM-assisted
      </p>
      <p>Inspired by these developments, this study explores design and optimization of heat exchangers. It has three
the application of LLMs for automating the design and main components: mathematical model identification,
optimization of heat exchangers with HxLLM framework. code retrieval for the mathematical model, and code
genThe primary objective is to develop a system that can gen- eration and correction. In subsequent sections, we
diserate mathematical models and optimization algorithms cuss the components of the HxLLM framework and how
based on user-input, leveraging the capabilities of LLMs it utilizes the mathematical model repository and code
to determine optimal parameter values and perform cost error repository.
optimization. By extracting relevant information from
research articles, LLMs could potentially generate mod- 2.1. Mathematical model identification
els and propose optimized designs through an iterative,
interactive process, reducing the manual efort required.</p>
      <p>This component extracts the mathematical model from
the user input. User input can also include a research
article that the user might want to use for a new design.</p>
      <p>Figure 1 (a) shows the mathematical model identification
&lt;paper&gt;
{raw_text}
&lt;/paper&gt;
Please carefully read through the mathematical model
section of the paper above. Identify and list all the
unique equations that are used to construct the model.</p>
      <p>For each equation you find:
- Give it a specific, descriptive name based on what
it represents or calculates. For example, if there is an
equation for "tube side heat transfer coeficient", name it
something like "Tube side heat transfer coeficient (ht)".
- Briefly describe how to calculate the equation based
on the information in the paper.</p>
      <p>Avoid using generic labels like "Equation ()" for the
names. Also avoid using phrases like "Calculated using
equation ()" in your descriptions. Instead, just provide a
general description of how each equation is calculated.</p>
      <p>Output your final list of named and described equations
inside &lt;equations&gt;tags.</p>
      <sec id="sec-1-1">
        <title>2.2. Code retrieval for mathematical model</title>
        <p>The highest similarity score obtained with
mathematical model extraction component, is then compared with
threshold similarity score. In this case, if the similarity
score is greater than 75%, the summary corresponding
to the highest similarity score is extracted. Subsequently,
we retrieve the code associated with that summary, which
serves as our sample base code for further processing.
The details of this step are illustrated in Fig. 1 (b). If the
similarity score is less than 75%,then the paper is new
and does not match any summary in our repository, and
an alternative approach is employed. This approach pairs
a most similar research article mathematical model with
its corresponding code and, when presented with a new
research article, uses a sequential prompting technique
to produce the desired output.This essentially represents
a few-shot prompting example, as illustrated in Fig. 2</p>
      </sec>
      <sec id="sec-1-2">
        <title>2.3. Code generation using LLM</title>
        <p>The sample base code obtained from previous
compocomponent. The user provides scientific text or a research nent, along with chain of thought prompting technique,
article (in PDF file format), which is then processed by the enables the LLM to generate new code through
sequenLLM. The LLM is prompted (see table 1 for the prompt tial prompting (see prompts in table 2 and table 3). In
provided to the LLM) to summarize the mathematical this component, we created the error database for errors
model described in the article, focusing solely on its de- that were encountered while creating the code for each
scription instead of detailed equations. This approach mathematical model (see Fig. 1(c)). It contains a list of
was chosen due to challenges with accurately parsing potential errors encountered in mathematical models for
and reading equations (mathematical expressions present heat exchangers. Code generated by LLM is executed,
in the article) using our current PyPDF reader for text and if the execution results in an error , then RAG based
extraction from the research article PDF file. technique is used to get similar error and its resolution
. Then again the prompt with similar error and its
resolution is given to the LLM (see prompt in table 4 and
table prompt 5). This iteration continues until specific
number of times (in this case 3) or terminates early if
the execution is successful. In case code exits with error
then human provides the resolution of the error and then
once again the code generation loop continues.</p>
      </sec>
      <sec id="sec-1-3">
        <title>2.4. Code Generation for Optimization</title>
      </sec>
      <sec id="sec-1-4">
        <title>Algorithm</title>
      </sec>
      <sec id="sec-1-5">
        <title>2.5. HxLLM Workflow</title>
        <p>taining mathematical models from multiple papers to
check for similarity. If a match is found, we retrieve the
base code as a reference for the LLM to generate the
mathematical model described in the paper. To ensure
the accuracy of the generated code, we incorporate a
code correction framework along with RAG techniques.</p>
        <p>If the base code is not present, we use few-shot examples
to generate the mathematical model and subsequently
the optimization model.</p>
        <p>
          In summary, HxLLM framework takes user input in the
form of research article PDF and generates the code for 3. Results and Discussion
mathematical model and optimization algorithm
mentioned in the research article. The entire workflow is In this study, we used the Anthropic Claude 3 Opus model
presented in Fig, 2. Initially, the workflow processes a as the LLM, and several research articles, including [
          <xref ref-type="bibr" rid="ref23">33</xref>
          ]
research article focused primarily on heat exchanger mod- and [34], were utilized as user input.
els and their cost optimization. Using LLM and prompt We applied HxLLM framework to 115 research articles.
engineering, we identify the mathematical model. We In the following subsections, we describe representative
then compare the provided article with a database con- results of our framework for research articles with similar
mathematical models present in the mathematical model
repository, as well as for research articles without similar
models in the repository. Finally, we discuss optimization
algorithm code generation. .
        </p>
        <p>1–22</p>
        <p>You will be optimizing the mathematical model of a heat
exchanger based on provided code and an optimization
algorithm from a research paper.</p>
        <p>Here is the code for the heat exchanger model:
&lt;code&gt;
{Code}
&lt;/code&gt;
And here is the paper having the optimization algorithm:
&lt;paper&gt;
{raw_text}
&lt;/paper&gt;
Please carefully read through the code and paper to
understand the heat exchanger model and the proposed
optimization approach.</p>
        <p>After reviewing the materials, please identify the
target/design variables that the paper aims to optimize,
along with any specified limits on those variables. List
out each variable and its limits (if given).</p>
        <p>Next, find the unified linking function described in the
paper. Show how to incorporate this linking function
into the optimization algorithm.</p>
        <p>Then, write out the full code that performs the
optimization of the heat exchanger model. Use the target/design
variables, limits, and unified linking function you
identified from the paper. Aim to closely follow the
optimization approach from the paper while integrating it with
the existing heat exchanger model code.</p>
        <p>Before outputting the final code, take a moment to
double check that your code follows the optimization
algorithm correctly and that you have used the right
variables and limits. Think through the optimization process
step-by-step to verify the logic.</p>
        <p>Finally, output the complete optimized code inside
&lt;optimized_code&gt;tags. Also output the final
optimized values of the target/design variables inside
&lt;optimized_values&gt;tags.</p>
        <p>Remember, the goal is to implement the paper’s
optimization approach to find optimal values for the heat
exchanger model’s design variables. Let me know if you
have any other questions!</p>
      </sec>
      <sec id="sec-1-6">
        <title>3.1. Model Extraction and Code</title>
      </sec>
      <sec id="sec-1-7">
        <title>Generation for Similar Research</title>
      </sec>
      <sec id="sec-1-8">
        <title>Articles</title>
        <sec id="sec-1-8-1">
          <title>3.1.1. Mathematical Model Extraction</title>
          <p>
            As mentioned before, it is expected that user will provide
the scientific text containing the mathematical model for
heat exchanger design. This text is passed as context
along with prompt (mentioned in table 1 to LLM for
extraction of the mathematical model and its parameters.
For this study, we have considered the research article
by [
            <xref ref-type="bibr" rid="ref23">33</xref>
            ] as the scientific text example. The mathematical
model extracted by LLM for this research article is given
Post identifying the similar mathematical model from
the repository, the python code corresponding to similar
          </p>
        </sec>
        <sec id="sec-1-8-2">
          <title>Output of TF-IDF vectorizer method</title>
          <p>Closest summary index: 11
Similarity score: 0.924
Closest summary:
1. Heat transfer area (A): Calculated using the heat
transfer rate, overall heat transfer coeficient, LMTD
correction factor, and logarithmic mean temperature
diference.
2. Heat transfer rate (Q): Determined from an energy
balance using the mass flow rates and specific heats of
the hot and cold fluids along with their inlet and outlet
temperatures.
3. Tube side flow velocity (Vi): Calculated from the
tube side mass flow rate, fluid density, number of tubes,
number of tube passes, and tube inner diameter.
4. Number of tubes (NT): Estimated using an empirical
correlation based on the shell diameter, tube outer
diameter, and coeficients that depend on the tube layout
and number of passes.
5. Tube side Reynolds number (Re): Calculated from
the tube side flow velocity, tube inner diameter, and
kinematic viscosity of the tube side fluid.</p>
          <p>...continued...
the equations present within the original codebase that
necessitate alterations. It details which segments in the
base code should be modified to ensure the accuracy
and logical integrity of extracted mathematical model.
Following this, we provided the next prompt (Table:3),
instructing the model to include these changes in the
base code and rewrite it coherently. The generated code
for this step is given in appendix 5.2.</p>
          <p>To ensure that, the generated code is accurate and runs
without any errors, this code was passed to the code
correction framework. The errors encountered during the
execution of the code, are presented in figure 3. Simple
errors (not present in the error repository) was resolved
by prompting (see table 4) LLM and errors which was not
so obvious for LLM (listed in error repository) were
resolved through RAG based approach with prompt (given
in table 5). It may happen, though, that errors may still
not be resolved; in that case, the error was resolved
manually, and the solution for the error was added to the
error repository for further reference by LLM.</p>
          <p>By learning from past errors in this way, the RAG
system can iteratively improve the quality and accuracy
of the code it produces. The final result of the error-free
mathematical code generated by the LLM is provided in
(Appendix:5.2).</p>
        </sec>
      </sec>
      <sec id="sec-1-9">
        <title>3.2. Model Extraction and Code</title>
      </sec>
      <sec id="sec-1-10">
        <title>Generation for Non-Similar Research</title>
      </sec>
      <sec id="sec-1-11">
        <title>Articles</title>
        <p>In the previous section 3.1, we described the steps for
user input for which we had similar mathematical model.
However, in practical scenario user may come up with
models that may not be similar to model available in
mathematical model repository. In such scenario, we
adopted the diferent steps for code generation of
mathematical models. These steps are described below:</p>
        <sec id="sec-1-11-1">
          <title>3.2.1. Mathematical Model Extraction</title>
          <p>We have selected the research article [34], for which
similar mathematical model is not available in the model
repository. The provided paper mainly discusses the
application of Rao algorithms to optimize mechanical
system component designs, assessing their comparative
efectiveness against established methods in addressing
complex constraints and mixed-type variables. However,
our database contains papers focused on the cost
optimization of heat exchangers. We use the prompt (given
in table 1) to generate the mathematical model summary.
LLM generated summary is given in table 11.</p>
        </sec>
        <sec id="sec-1-11-2">
          <title>3.2.2. Code Retrieval for Mathematical Model</title>
          <p>The mathematical model summary (in table 11) when
compared using TF-IDF vectorizer based retriever, we
found that, similarity index was 0.512, indicating that
no mathematical model closely matches the generated
mathematical model summary. Hence, the sample code
was taken as reference base code for the step of code
generation.</p>
        </sec>
        <sec id="sec-1-11-3">
          <title>3.2.3. Code generation and Correction</title>
          <p>Since we are not using the base code which is similar to
the mathematical model, in this case we ask the LLM to
generate the code from scratch with sample code using
few-shot example prompting approach (Table:12). We
provided a closely matched reference paper, the
mathematical model related to the paper, and associated it
with the prompt in a way that the model learns from
the example how to build the mathematical model for an
optimization algorithm problem. The result generated
with this approach is given in appendix 5.3.</p>
          <p>This code demonstrates that Claude 3 Opus is a very
capable model, able to learn from examples and write code
in a manner required for our case. However, the code
generated by the LLM needs to be executed to ensure
correctness. For this, we sent the code to our code
correction framework (as described in sub section 3.1.3), and
the output of that framework after multiple correction
iterations, is given in appendix:5.4.</p>
          <p>You will be recreating the Python code for a specified
research paper. The goal is to generate code that can be
directly copied and pasted for execution. I will provide you
with a series of prompts to guide you through the process.
First, here is a sample paper for your reference:
&lt;sample_paper&gt;
{SAMPLE_PAPER}
&lt;/sample_paper&gt;
And here is the sample code associated with the
mathematical model from that paper:
&lt;sample_code&gt;
{SAMPLE_CODE}
&lt;/sample_code&gt;
Note that the sample code may be entirely diferent from the
paper you will be working with. It is only provided to give
you an idea of how to proceed in creating the code for the
mathematical model of the given paper. The mathematical
expressions and logic in your paper may be diferent.
Now, here is the paper you will be recreating the code for:
&lt;paper&gt;
{PAPER}
&lt;/paper&gt;
Please carefully study the mathematical models and
equations provided in this paper.</p>
          <p>Next, write out the equations for all the formulas in the
paper as Python functions, similar to how it was done in
the sample code. First, you will need to figure out the logic
and all the formulas. Then, write out each formula as a
Python function.</p>
          <p>If there are no mathematical models or formulas given in
the paper, simply state "No mathematical models or
formulas are present in this paper."
When writing the code, make sure to write out the full
formula for clarity. For example, instead of representing
equation (3) as a comment like # equation (3), write
out the entire equation. This will ensure completeness.
It’s crucial that any generated results are complete and
accurate. Double-check your work to ensure the code aligns
with the paper’s specifications.</p>
          <p>Please provide your generated code inside &lt;code&gt; tags like
this:
&lt;code&gt;
Your generated code goes here.
&lt;/code&gt;
You don’t need to provide the entire code all at once. I will
provide more prompts in a sequence to guide you through
the process. Let’s work together to recreate the code
accurately and eficiently.</p>
        </sec>
      </sec>
      <sec id="sec-1-12">
        <title>3.3. Optimisation code generation</title>
        <p>
          Once the mathematical model code is generated, it can
be integrated with optimization algorithm for
obtaining the configuration with optimal cost. It is achieved
with two steps, first code generation for optimization
algorithm and second integration of mathematical model
with optimization algorithm. The first step is performed ysis. Also, the current framework relies heavily on the
in this study, by providing the user provided research user input for the mathematical model, its parameters
article as context to LLM with prompt (Table:6), to gen- and optimization algorithm to be used. To reduce this
erate the code for optimization. Here we have illustrated dependency on user input, the external data repositories
the output of this approach for research article by Pa- (like the mathematical model repository and code error
tel and Rao [
          <xref ref-type="bibr" rid="ref23">33</xref>
          ]. This article [
          <xref ref-type="bibr" rid="ref23">33</xref>
          ] describes the use of repository mentioned in this framework) for material
PSO (Particle Swarm Optimization) techniques, where properties, optimization methodologies, program
synthethe target variables are three design variables: shell in- sis, domain specific information etc. can be integrated in
ternal diameter, outer tube diameter, and bafle spacing. this framework to obtain the reliable and comprehensive
These variables are considered for optimization. As per framework for design and optimization across diferent
the prompt, the LLM correctly identified the design vari- design problems. Developing such framework, is the
ables along with their limits. It also accurately replicated future goal of the present authors.
the PSO algorithm as described in the paper to optimize
the cost function and determine the values of these
target variables. The code generated by LLM is given in 4. Conclusion
appendix:5.5.
        </p>
        <p>In next step, prompt (given in table7), that instructs
LLM to combine both the mathematical model and the
optimization code to produce the final code for optimization.</p>
        <p>This combined code was then passed through the code
correction framework. The output of code correction
framework is presented in appendix:5.6.</p>
        <p>The LLM performed remarkably well in identifying
and writing most of the code logic accurately. However,
the final answer did not exactly match the results
described in the paper, as some of the parameter values
were guessed by LLM since it was not present in the
article provided by user. Also the code generated by LLM
relied on the pdf text, which did not have accurate
information of mathematical model equation due to limitation
of pdf text parsing.</p>
        <p>This study introduced the HxLLM framework, leveraging
Large Language Models (LLMs) to automate the design
and optimization of heat exchangers (HEs). Our approach
integrated mathematical model extraction, code
generation, and error correction using a RAG framework. The
LLMs efectively identified and generated initial code for
the mathematical models, although initial responses
often required corrections. Our results demonstrated that
LLMs, when combined with RAG, ofer a promising tool
for automating the design and optimization processes of
HEs. This can lead to increased energy eficiency and
reduced costs in the process industry. However, the study
also highlighted the limitations of current LLM
capabilities, particularly in handling diverse mathematical
models and optimizing complex designs without substantial
human input. Future work should focus on enhancing
the LLM’s ability to parse complex information from
various document formats and reducing reliance on user
input by integrating extensive external data repositories.</p>
        <p>Additionally, incorporating agent-based workflows may
further improve the code generation process. These
advancements will help create a more comprehensive and
reliable framework for designing and optimizing diverse
engineering systems.</p>
      </sec>
      <sec id="sec-1-13">
        <title>3.4. Limitations and Future Work</title>
        <p>Research articles are often in pdf format, and parsing
these pdfs to text can result in loss of equation
information, table or graph image information. In present study,
we have ignored this loss of information. However, the
concrete methodology to parse the information in pdf
ifles or any other similar files which contains multiple
type of information needs to formulated for better
comprehension of context by LLMs. Combination of
methods like, use of neural networks [35], vision transformer
based models [36] or LLM based models [37, 38] can
be explored further for overcoming this limitation. The
code generation capability of the LLMs have improved
in recent times, however LLMs require human inputs
(prompts) code generation of complete design and
optimization of heat exchangers and can not be achieved
in one shot. This further can be improved with agent
based workflows for better code generation. Also, the
current benchmark studies does not consider requirements
of such design and optimization workflows and can’t be
used for evaluating the framework proposed in this study
and human evaluation approach was selected for
analarXiv:2402.09664.
[31] B. Ni, M. J. Buehler, Mechagents: Large language
def Tube_side_heat_transfer_coefficient(di,</p>
        <p>Re, Pr, k):
Nu = 0.023 * (Re**0.8) * (Pr**0.4) #</p>
        <p>equation (6)
hi = (Nu * k) / di
return hi
F = numerator * denominator # equation (20)
return F
def Sensible_heat(Cp_h,mh,Th_i,Th_o):
Q = mh*Cp_h*(Th_i-Th_o)
return Q
def Shell_hydaulic_diameter(St, do):
if St == 1.25*do: # square pitch</p>
        <p>De = (1.27 / do) * (St**2 - 0.785*do**2)
# equation (7a)
else: # triangular pitch</p>
        <p>De = (1.10 / do) * (St**2 - 0.917*do**2)
# equation (7b)
return De
def calculate_DPt(s, L, di, rho, Vi, mu, mu0,
m):
DPt = s * ((0.092 * (L/di) * ((rho * Vi**2)
/2) *
((mu/mu0)**(-m))) + 2.5) * ((rho * Vi**2)
/2)
# equation (16)
return DPt
def Cross_section_area(St, do, e, DG):
As = (St - do) * e * DG / St # equation (8)
return As
def calculate_DPs(jf, DG, De, Le, rho, Vo, mu,
mu0):
DPs = 8 * jf * (DG/De) * (Le/DG) *
((rho * Vo**2)/2) * ((mu/mu0)**(-0.14))
# equation (16)
return DPs
def calculate_Cod(n, i, C_o):</p>
        <p>X = np.arange(1, n + 1) # Create an array
of X
values from 1 to n
terms = C_o / (1 + i) ** X
C_od = np.sum(terms)
return C_od
def Calculate_Total_Cost(C, n, DG, do, m,
rho_t, rho_s,
s, mew_t, L, Kt, St, e, ms, mew_s, Ks, Rfi,</p>
        <p>Rfo, Th_i,
Th_o, Tc_i, Tc_o, Cp_h, Cp_c, etta, ny, H, Ce,
i, kw,
xw, jh, jf, mu0, m_exp):
di = 0.8*do
NT = Number_of_tubes(C, n, DG, do)
Vi = Flow_velocity_tube(m, di, rho_t, NT,
s)
Re_t = Reynolds_number_tube(rho_t, Vi, di,
mew_t)
Pr_t = Prandtl_number(mew_t, Cp_c, Kt)
hi = Tube_side_heat_transfer_coefficient(
di, Re_t,
Pr_t, Kt)
De = Shell_hydaulic_diameter(St, do)
As = Cross_section_area(St, do, e, DG)
Vo = Flow_velocity_shell(ms, rho_s, As)
Re_s = Reynolds_number_shell(ms, De, As,
mew_s)
Pr_s = Prandtl_number(mew_s, Cp_h, Ks)
ho = Shell_Side_heat_transfer_coefficient(</p>
        <p>Ks, De, Re_s,
Pr_s, mew_s, mu0, jh)
K = Overall_heat_transfer_coefficient(hi,
di, do, Rfi, kw,
xw, Rfo, ho)
lmtd = LMTD(Th_i, Th_o, Tc_i, Tc_o)
R = (Th_i - Th_o) / (Tc_o - Tc_i)
P = (Tc_o - Tc_i) / (Th_i - Tc_i)
F = Correction_factor(R, P)
A = (m*Cp_c*(Tc_o-Tc_i))/(K*F*lmtd)
Span = (A/(math.pi*do*NT))
a1 = 8000
a2 = 259.2
a3 = 0.93 # Exchanger made with Stainless
steel for both
shell and tubes
C_i = a1 + a2 * (A**(a3/3))
P = 1 / etta * (((m / rho_t) * DPt) + ((ms
/ rho_s) * DPs))
C_o = P * Ce * H
C_od = calculate_Cod(ny, i, C_o)
C_tot = C_i + C_od
return C_tot
if __name__ == ""__main__"":</p>
        <p>main()</p>
      </sec>
      <sec id="sec-1-14">
        <title>5.2. Final Mathematical code for similar research article</title>
        <p>This is the final result of the error-free mathematical code
generated by the LLM.
def Tube_side_heat_transfer_coefficient(Kt,di
,Re,Pr,L,d0,mew_t,mew_w): def Sensible_heat(ms,Cps,Tis,Tos):
if Re &lt; 2300: Q = ms*Cps*(Tis-Tos)
ht = (Kt/di)*(3.657+(0.0677*(Re*Pr*(di/L return Q</p>
        <p>))
**1.33)/(1+0.1*Pr*((Re*di/L)**0.3))) def calculate_DPt(rho_t,vt,L,dt,ft,n):
elif 2300 &lt; Re &lt; 10000: p = 4
ft = calculate_friction_factor(Re) DPt = rho_t*vt**2/2 * ((L/dt)*ft + p) * n
ht = (Kt/di)*((ft/8)*(Re-1000)*Pr) return DPt</p>
        <p>/(1+12.7
*math.sqrt(ft/8)*(Pr**(2/3)-1))*(1+(di/L def calculate_DPs(fs,rho_s,vs,L,B,Ds,De):
)**0.67) DPs = fs * rho_s*vs**2/2 * (L/B) * (Ds/De)
return DPs
else:
ht = 0.027*(Kt/d0)*(Re**0.8)*(Pr**(1/3))</p>
        <p>*
((mew_t/mew_w)**0.14)
return ht
return C_tot</p>
      </sec>
      <sec id="sec-1-15">
        <title>5.3. First Instance Code generation for</title>
      </sec>
      <sec id="sec-1-16">
        <title>Non Similar research article</title>
        <p>import math
# Rao-1 algorithm
def rao1_update(Xu_v_w, Xbest_v_w, Xworst_v_w,</p>
        <p>r1):
return Xu_v_w + r1 * (Xbest_v_w</p>
        <p>Xworst_v_w)
# Rao-2 algorithm
def rao2_update(Xu_v_w, Xbest_v_w, Xworst_v_w,</p>
        <p>r1, r2,
Xu_v_w_or_XU_v_w, XU_v_w_or_Xu_v_w):
return Xu_v_w + r1 * (Xbest_v_w</p>
        <p>Xworst_v_w) + r2
* (abs(Xu_v_w_or_XU_v_w) - abs(</p>
        <p>XU_v_w_or_Xu_v_w))
# Rao-3 algorithm
def rao3_update(Xu_v_w, Xbest_v_w, Xworst_v_w,</p>
        <p>r1, r2,
Xu_v_w_or_XU_v_w, XU_v_w_or_Xu_v_w):
return Xu_v_w + r1 * (Xbest_v_w - abs(</p>
        <p>Xworst_v_w))
+ r2 * (abs(Xu_v_w_or_XU_v_w) - (</p>
        <p>XU_v_w_or_Xu_v_w))
def run_optimization(Xu_v_w, Xbest_v_w,
def Xworst_v_w, r1, r2, Xu_v_w_or_XU_v_w,
cylindrical_roller_bearing_dynamic_capacity XU_v_w_or_Xu_v_w,D, d, n, Q, Po, Ef,
(bm, lv, ro, ri, t, z, rho, bm, lv, gamma, Dr,
gamma, Dr, le, Z): le, Z, alpha, epsilon, Tci, Thi, Rc,
return 207.9 * bm * lv * teh, Cph, dPh, Phi, tec, Cpc, dPc,
(1 + (1.04 * ((1-gamma)/(1+gamma)) Pci, Ci, Cod, c1, x1, l, h, c2, b, L, do, di):
**(143/108))**
"""
Runs the optimization process using
the Rao algorithms and objective functions.
"""
# Run Rao algorithms
rao1_result = rao1_update(Xu_v_w,</p>
        <p>Xbest_v_w, Xworst_v_w, r1)
rao2_result = rao2_update(Xu_v_w,</p>
        <p>Xbest_v_w, Xworst_v_w,
r1, r2, Xu_v_w_or_XU_v_w, XU_v_w_or_Xu_v_w)
rao3_result = rao3_update(Xu_v_w,</p>
        <p>Xbest_v_w, Xworst_v_w,
r1, r2, Xu_v_w_or_XU_v_w, XU_v_w_or_Xu_v_w)
# Calculate objective functions
helical_spring_result =</p>
        <p>helical_spring_volume
(D, d, n)
hydrostatic_thrust_bearing_result =</p>
        <p>hydrostatic_
thrust_bearing_power_loss(Q, Po, Ef)
multiple_disc_clutch_brake_result =
multiple_disc_clutch_brake_mass(ro, ri, t,</p>
        <p>z, rho)
cylindrical_roller_bearing_result =</p>
        <p>cylindrical
_roller_bearing_dynamic_capacity
(bm, lv, gamma, Dr, le, Z)
spherical_roller_bearing_result =</p>
        <p>spherical
_roller_bearing_dynamic_capacity
(bm, lv, gamma, Dr, le, Z, alpha)
plate
_fin_heat_exchanger_result = plate
_fin_heat_exchanger_entropy_generation
(epsilon, Tci, Thi, Rc, teh, Cph, dPh, Phi,
# Return results
return {
’rao1_result’: rao1_result,
’rao2_result’: rao2_result,
’rao3_result’: rao3_result,
’helical_spring_result’:
helical
_spring_result,
’hydrostatic
_thrust_bearing_result’: hydrostatic
_thrust_bearing_result,
’multiple_disc_clutch_brake_result’:</p>
        <p>multiple
_disc_clutch_brake_result,
’cylindrical_roller_bearing_result’:</p>
        <p>cylindrical
_roller_bearing_result,
’spherical_roller_bearing_result’:
spherical
_roller_bearing_result,
’plate_fin_heat_exchanger_result’:
plate_fin_heat_exchanger_result,
’shell_and_tube_heat_exchanger_result’:</p>
        <p>shell
_and_tube_heat_exchanger_result,
’welded_beam_result’: welded_beam_result</p>
        <p>,
’belt_pulley_drive_result’:</p>
        <p>belt_pulley_drive_result,
’hollow_shaft_result’:</p>
        <p>hollow_shaft_result
}
5.4. Final revised Mathematical model for
the non-similar research article
following the code correction
framework
# Spherical roller bearing objective function
def spherical_roller_bearing_dynamic_capacity
(bm, lv, gamma, Dr, le, Z, alpha):return
207.9 * bm * lv * (1 +
import math (1.04 * ((1-gamma)/(1+gamma))**(143/108))
**(9/2))**(-2/9) * gamma**(2/9) * (1-gamma)
# Rao-1 algorithm **(29/27)
def rao1_update(Xu_v_w, Xbest_v_w, Xworst_v_w, * (1+gamma)**(1/4) * (le*math.cos(alpha))
r1): **(7/9) * Z**(3/4) *
return Xu_v_w + r1 * (Xbest_v_w - Dr**(29/27)</p>
        <p>Xworst_v_w)
* (le)**(7/9) * Dr**(29/27) * Z**(3/4)
# Rao-2 algorithm
def rao2_update
(Xu_v_w, Xbest_v_w, Xworst_v_w, r1,
r2, Xu_v_w_or_XU_v_w, XU_v_w_or_Xu_v_w):</p>
        <p>return
Xu_v_w + r1 * (Xbest_v_w - Xworst_v_w)
+ r2 * (abs(Xu_v_w_or_XU_v_w) - abs(</p>
        <p>XU_v_w_or_Xu_v_w))
# Rao-3 algorithm
def rao3_update(Xu_v_w, Xbest_v_w, Xworst_v_w,</p>
        <p>r1, r2,
Xu_v_w_or_XU_v_w, XU_v_w_or_Xu_v_w):return
Xu_v_w + r1 * (Xbest_v_w - abs(Xworst_v_w)) +
r2 * (abs(Xu_v_w_or_XU_v_w) - (</p>
        <p>XU_v_w_or_Xu_v_w))
Xu_v_w_or_XU_v_w, XU_v_w_or_Xu_v_w:</p>
        <p>Parameters
for Rao algorithms
- D, d, n: Parameters
for helical compression spring
- Q, Po, Ef: Parameters
for hydrostatic thrust bearing
- ro, ri, t, z, rho: Parameters
for multiple disc clutch brake
- bm, lv, gamma, Dr, le, Z: Parameters
for cylindrical roller bearing
- alpha: Additional
parameter for spherical roller bearing
- epsilon, Tci, Thi, Rc,
teh, Cph, dPh, Phi, tec, Cpc, dPc, Pci:</p>
        <p>Parameters
for plate fin heat exchanger
- Ci, Cod: Parameters for shell and tube</p>
        <p>heat exchanger
- c1, x1, l, h, c2, b, L: Parameters for</p>
        <p>welded beam
- do, di: Additional parameters for hollow</p>
        <p>shaft
# Calculate objective functions
helical_spring_result =</p>
        <p>helical_spring_volume
(D, d, n)
hydrostatic_thrust_bearing_
result =</p>
        <p>hydrostatic_thrust_bearing_power_loss
(Q, Po, Ef)
multiple_disc_clutch_brake_
result = multiple_disc_clutch_brake_mass
(ro, ri, t, z, rho)
cylindrical_roller_bearing_
result =
cylindrical_roller_bearing_dynamic_capacity
result = plate_fin_heat_exchanger_entropy_
generation
(epsilon, Tci, Thi, Rc, teh, Cph, dPh, Phi,</p>
        <p>tec, Cpc,
dPc, Pci)
shell_and_tube_heat_exchanger_
result =</p>
        <p>shell_and_tube_heat_exchanger_total_cost
(Ci, Cod)
welded_beam_result = welded_beam_cost
(c1, x1, t, l, h, c2, b, L)
belt_pulley_drive_result =</p>
        <p>belt_pulley_drive_weight
(rho, b, d1, t1, d2, t2, d1_1, t1_1, d1_2,</p>
        <p>t1_2)
hollow_shaft_result = hollow_shaft_weight
(do, di, L, rho)
# Return results
return {
’rao1_result’: rao1_result,
’rao2_result’: rao2_result,
’rao3_result’: rao3_result,
’helical_spring_result’:</p>
        <p>helical_spring_result,
’hydrostatic_thrust_bearing_result’:</p>
        <p>hydrostatic_
thrust_bearing_result,
’multiple_disc_clutch_brake_result’:</p>
        <p>multiple_disc_
clutch_brake_result,
’cylindrical_roller_bearing_result’:</p>
        <p>cylindrical_roller
_bearing_result,
’spherical_roller_bearing_result’:</p>
        <p>spherical_
roller_bearing_result,
’plate_fin_heat_exchanger_result’:</p>
        <p>plate_fin_
heat_exchanger_result,
’shell_and_tube_heat_exchanger_result’:</p>
        <p>shell_and_tube_
heat_exchanger_result,
’welded_beam_result’: welded_beam_result</p>
        <p>,
’belt_pulley_drive_result’:</p>
        <p>belt_pulley_drive_result,
’hollow_shaft_result’:</p>
        <p>hollow_shaft_result
}
(bm, lv, gamma, Dr, le, Z)
spherical_roller_bearing_
result =
spherical_roller_bearing_dynamic_capacity
5.5. Initial code generation for
optimization model outlined in the
research article
(bm, lv, gamma, Dr, le, Z, alpha)
plate_fin_heat_exchanger_
def PSO
(num_particles, max_iterations, w, c1, c2,</p>
        <p>
          Ds_min,
Ds_max, do_min, do_max, B_min, B_max):
i][
          <xref ref-type="bibr" rid="ref2 ref34">2</xref>
          ])
5.6. Final revised optimisation model
following the code correction
framework
import math
import numpy as np
def Prandtl_number(mew,Cp,Kt):
        </p>
        <p>Pr = (mew*Cp)/Kt
return Pr
def Shell_Side_heat_transfer_coefficient
(Ks,De,Re,Pr,mew_s,mew_w):
hs = 0.36*(Ks/De)*(Re**0.55)
*(Pr**(1/3))*((mew_s/mew_w)**0.14)
return hs
def LMTD(Tis,Tos,Tit,Tot):
deltaT1 = Tis - Tot
deltaT2 = Tos - Tit
lmtd = (deltaT1 - deltaT2) / math.log(</p>
        <p>deltaT1 / deltaT2)
return lmtd
def Correction_factor(Tis, Tos, Tit, Tot):</p>
        <p>R = (Tis - Tos) / (Tot - Tit)
P = (Tot - Tit) / (Tis - Tit)
numerator = math.sqrt(R**2 + 1) /
(R - 1) * math.log((1 - P) / (1 - P*R))
denominator = math.log((2 - P*
(R + 1 - math.sqrt(R**2 + 1))) /
(2 - P*(R + 1 + math.sqrt(R**2 + 1))))
F = numerator / denominator
return F
def Sensible_heat(ms,Cps,Tis,Tos):</p>
        <p>Q = ms*Cps*(Tis-Tos)
return Q
def calculate_DPt(rho_t,vt,L,dt,ft,n):
p = 4
DPt = rho_t*vt**2/2 * ((L/dt)*ft + p) * n
return DPt
def calculate_DPs(fs,rho_s,vs,L,B,Ds,De):</p>
        <p>DPs = fs * rho_s*vs**2/2 * (L/B) * (Ds/De)
return DPs
ht = Tube_side_heat_transfer_coefficient
(Kt,di,Re_t,Pr_t,L,d0,mew_t,mew_w)
U = 1/((1/hs)+Rfs+(d0/di)*(Rft+(1/ht)))
lmtd = LMTD(Tis,Tos,Tit,Tot)
F = Correction_factor(Tis,Tos,Tit,Tot)
A = (mt*Cp_c*(Tot-Tit))/(U*F*lmtd)
Span = (A/(pie*d0*Nt))
ft = calculate_friction_factor(Re_t)
DPt = calculate_DPt(rho_t,vt,Span,di,ft,n)
b0 = 0.72
fs = calculate_fs(b0, Re_s)
vs = Flow_velocity_shell(ms,rho_s,
Cross_section_area(Ds,b,C1))
DPs = calculate_DPs(fs,rho_s,vs,L,B,Ds,De)
a1 = 8000
a2 = 259.2
a3 = 0.93
C_i = a1 + a2 * (A**(a3/3))
P = 1 / etta * (((mt / rho_t) * DPt) +
((ms / rho_s) * DPs))
C_o = P * Ce * H
C_od = calculate_Cod(ny, i, C_o)
C_tot = C_i + C_od
return C_tot
import random
def PSO(num_particles, max_iterations, w,
c1, c2, Ds_min, Ds_max, do_min, do_max, B_min,</p>
        <p>
          B_max):
particles = []
velocities = []
best_positions = []
best_costs = []
global_best_position = None
global_best_cost = float(’inf’)
if cost &lt; global_best_cost:
global_best_position = [Ds, do, B]
global_best_cost = cost
return global_best_position
print(f"Optimal values: Shell diameter =
{optimal_values[0]}, Tube outer diameter =
{optimal_values[
          <xref ref-type="bibr" rid="ref1 ref27 ref28 ref30 ref31 ref32">1</xref>
          ]}, Baffle spacing = {
        </p>
        <p>
          optimal_values[
          <xref ref-type="bibr" rid="ref2 ref34">2</xref>
          ]}")
        </p>
      </sec>
    </sec>
    <sec id="sec-2">
      <title>6. Heat Exchanger Design with</title>
    </sec>
    <sec id="sec-3">
      <title>Surrogate Models</title>
      <p>
        Researchers have explored various surrogate modeling
approaches, including machine learning [
        <xref ref-type="bibr" rid="ref10 ref6 ref7 ref8 ref9">6, 7, 8, 9, 10</xref>
        ]
and deep learning [
        <xref ref-type="bibr" rid="ref11">11, 12, 13, 14, 15, 16</xref>
        ], to accelerate the
design and optimization of heat exchangers.
      </p>
      <p>
        Fouling, the deposition of chemical compounds,
reduces the heat transfer eficiency of heat exchangers and
can lead to operational stoppages. Measuring the extent
of fouling is challenging due to the lack of direct
measurements. Recently, deep learning-based models have been
developed to provide real-time visibility and forecast the
health of heat exchangers, aiding in better planning and
optimization of operations [
        <xref ref-type="bibr" rid="ref11">11, 12, 13</xref>
        ]. Physics-informed
deep learning approaches have further enhanced
realtime visibility into fouling severity, facilitating real-time
operational optimizations in plants [14, 15]. These
approaches have also been applied to accelerate the design
process [16].
      </p>
      <p>
        Saeed et al. [
        <xref ref-type="bibr" rid="ref6">6</xref>
        ] applied machine learning algorithms
to improve the performance of a C-shaped printed
circuit heat exchanger (PCHE) within a supercritical CO2
Brayton cycle. By analyzing 81 channel configurations
using computational fluid dynamics (CFD) and
subsequently training machine learning models, they
demonstrated significant improvements in thermo-hydraulic
performance using a multi-objective genetic algorithm.
Concurrently, Keramati et al. [
        <xref ref-type="bibr" rid="ref7">7</xref>
        ] explored the
potential of deep reinforcement learning (Deep RL) for heat
exchanger shape optimization, integrating a deep
neural network (DNN) with a CFD solver. Their approach,
based on Proximal Policy Optimization (PPO), resulted
in notable enhancements in heat transfer eficiency and
pressure drop reduction. Zou et al. [
        <xref ref-type="bibr" rid="ref8">8</xref>
        ] reviewed the
applications of machine learning methods for heat exchanger
modeling, highlighting the efectiveness of these models
for design optimization. Additionally, Long et al. [
        <xref ref-type="bibr" rid="ref9">9</xref>
        ] and
EFATINASAB et al. [
        <xref ref-type="bibr" rid="ref10">10</xref>
        ] investigated the use of machine
learning and deep learning models for microchannel and
micro-finned tube heat exchangers, respectively,
demonstrating the competitive performance and scalability of
these techniques in design optimization.
      </p>
    </sec>
  </body>
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        <mixed-citation>r1, r2, Xu_v_w_or_XU_v_w,</mixed-citation>
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      <ref id="ref28">
        <mixed-citation>
          <source>- c1</source>
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      <ref id="ref29">
        <mixed-citation>
          <article-title>welded_beam_result = welded_beam_cost(c1,</article-title>
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      <ref id="ref30">
        <mixed-citation>x1, t, l, h, c2, b, L)</mixed-citation>
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        <mixed-citation>
          <article-title>(rho, b</article-title>
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          <year>d1</year>
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          <year>t1</year>
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          <year>d2</year>
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          <year>t2</year>
          ,
          <year>d1</year>
          _
          <fpage>1</fpage>
          ,
          <issue>t1</issue>
          _
          <fpage>1</fpage>
          ,
          <issue>d1</issue>
          _
          <fpage>2</fpage>
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          <issue>t1</issue>
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        <mixed-citation>
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          <article-title>rao2_result = rao2_update(Xu_v_w</article-title>
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      <ref id="ref35">
        <mixed-citation>
          <string-name>
            <surname>Xworst</surname>
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          _v_w, r1, r2, Xu_v_w_or_XU_v_w, XU_v_w_or_Xu_v_w)
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      <ref id="ref38">
        <mixed-citation>
          <source>velocities[i][0] = w*velocities[i][0] + c1*r1*</source>
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      <ref id="ref39">
        <mixed-citation>
          <source>(best_positions[i][0] - particles[i ][0]) + c2*r2*</source>
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      <ref id="ref40">
        <mixed-citation>
          <source>(global_best_position[0] - particles[ i][0])</source>
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      </ref>
      <ref id="ref41">
        <mixed-citation>
          <source>velocities[i][1] = w*velocities[i][1] + c1*r1*</source>
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      </ref>
      <ref id="ref42">
        <mixed-citation>
          <source>(best_positions[i][1] - particles[i ][1]) + c2*r2*</source>
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      </ref>
      <ref id="ref43">
        <mixed-citation>
          <source>(global_best_position[1] - particles[ i][1])</source>
        </mixed-citation>
      </ref>
      <ref id="ref44">
        <mixed-citation>
          <source>velocities[i][2] = w*velocities[i][2] + c1*r1*</source>
        </mixed-citation>
      </ref>
      <ref id="ref45">
        <mixed-citation>
          <source>(best_positions[i][2] - particles[i ][2]) + c2*r2*</source>
        </mixed-citation>
      </ref>
      <ref id="ref46">
        <mixed-citation>
          <source>(global_best_position[2] - particles[ i][2])</source>
        </mixed-citation>
      </ref>
    </ref-list>
  </back>
</article>