CHE14 COMPUTER APPLICATIONS IN CHEMICAL ENGINEERING

PRODUCTION OF GEL POLYMER ELECTROLYTE

Submitted by:

Luyao, Ian (20140005952)

Arquillano, Christian (20140004089)
Tambot, Judy (20140004053)
Patriana, Chiara (20140005483)

Submitted to:
Dr. Maria Theresa Isla-Cabaraban
October 2, 2019
EXECUTIVE SUMMARY
Gel polymer electrolyte is considered as a potential replacement for currently available
organic liquid electrolyte for building safer batteries. This report specifically discusses the
production of polyvinylidene fluoride (PVDF) – based gel polymer electrolyte. An electrolyte
is one of the basic components of a battery. It serves as a catalyst to make a battery conductive
by promoting the movement of ions from the cathode to the anode. The electrolyte of a battery
commonly consists of soluble salts, acids or other bases in liquid, gelled and dry formats.
INTRODUCTION
Production of gel polymer electrolyte involves integrating the liquid electrolyte into the
polymer matrix. This entrapment prevents leaks of the electrolytes that lead to thermal runway
and dangerous explosions. The gel polymer electrolyte is casted from polyvinylidene fluoride
(PVDF) polymer and dimethylformamide (DMF) solvent, after that, it is doped in a doping
solution consists of carbon additive, polyethylene oxide as binding agent of the additive,
polyethylene as dispersing agent and the solvent toluene. The doped polymer electrolyte is
swelled to a sodium-based liquid electrolyte in carbonate solvent. The liquid electrolyte is
composed of sodium salt, particularly sodium perchlorate (NaClO4) in ethylene carbonate (EC)
and propylene carbonate (PC) solvent. This aims to develop a simulation of the production of
gel polymer electrolyte using DWSIM. The case study also aims to select the right combination
of flash algorithm and property package for this specific simulation.

Figure 1. Process Flow Diagram of the Production of Gel Polymer Electrolyte

The significance of the study addresses the concern in the demand for more
conventional battery solutions for a more advanced technology. The battery electrolyte is
designed mainly for Sodium-Ion batteries which is comparable to the existing Lithium-Ion
batteries that is commonly used nowadays. Research has been made to supplement the demand
with Sodium-Ion batteries that have been reconsidered with the aim of providing a lower-cost
substitute that is less vulnerable to resources and supply risks. Moreover, a present interest for
gel polymer electrolytes as an astounding substitute for liquid electrolytes has been made, since
its free consistency characteristic contributes to easier handling and cell design. The gel
polymer electrolytes are also responsive to customization in shape, size, and orientation which
are needed as more specialized batteries are needed. Electrolyte development addresses the
concerns regarding the safety and viability of a battery.

PROBLEM ORIENTED CASE STUDY

The focus of this study is to simulate processes presented in the Production of Gel Polymer
Electrolyte process flow diagram (PFD) into the DWSIM simulation. There are three major
parts of the production; the casting of the polymer, doping of the polymer, and the swelling of
the electrolyte. The main problem being faced is the simulation of the PFD itself. The sub
problem would be the choice of property package to use. Here, the modified UNIFAC (NIST)
is used and in the flash algorithm the Nested Loops SLE is used.

METHODOLOGY
The production of the gel polymer electrolyte is a batch process with three major areas
of production, the casting of polymer films, doping, and the swelling of the liquid electrolyte
into the polymer films. The mixing of the polyvinylidene fluoride (PVDF) into
dimethylformamide (DMF) solvent happens in the casting process. The mixed solution is then
heated to a 75 C before casting to ensure that dissolution of the two components takes place.
After casting and drying, the vaporized DMF is sent to a condenser for materials recovery. The
polymer films that has been casted and dried and are ready for the doping phase.
In the doping phase, the carbon additive is mixed with polyethylene, polyethylene oxide
and toluene to form a doping solution. The casted polymer films are then sent to the immersion
tank for the doping process with a residence time of 30 mins. The doped polymer is sent to a
compound separator where the doped polymer film are dried and toluene is being recovered.
The liquid electrolyte preparation is then being processed in the swelling phase. The
ethylene carbonate is sent to a heater to liquify at a temperature of 40C. The liquified ethylene
carbonate is sent to a mixing tank where propylene carbonate and sodium perchlorate is added.
The liquid electrolyte solution is cooled before the swelling of polymer films happen. The
swelling process will then take place in the immersion tank where the dried doped polymer
films and the electrolyte solution are sent. The gel polymer electrolyte from the immersion tank
is the final product and then be further modified by other means depending on the desired
outcome of the product.
SUMMARY OF FINDINGS
The property package settings used for the problem are Modified Unifac Nist and
Nested Loops SLE. This is because other property package settings focuses on specialized
phases such as VLE and LLE. Since the processes involves solid and liquid system so the use
of SLE agree to the conditions given. Furthermore, the use of Nested Loops (SLE-solid
solution) is being utilized because the DWSIM program could not detect the phases involved
in the process so it has the tendency to assume the phase as solid, liquid or gas. On the grounds
of proper material interpretation of the system, flash algorithm is set to a solid-liquid setting.

CONCLUSION AND RECOMMENDATION

The aim of the study is to simulate the production of GPE process flow diagram into the
DWSIM simulation. SLE is used because the process involves solid and liquid system. Also,
Nested Loops (SLE-solid solution) was used because some phases involved in the process
cannot be detected with other property packages. To achieve a more accurate values, it is
recommended to use the exact polymer for the process instead of using the monomers.