CHE 545

ASSINGMENT 1 MASS TRANSFER

TOPIC: TWO-FILM THEORY

GROUP: EH2203A

GROUP MEMBERS:

GROUP LEADER: MUHAMMAD FARIS BIN JOHARI (2017632008)

1. AMIRUL ANWAR BIN MAZLAN (2017631952))

2. MUHAMMAD ASYRAAF SHARIZAMAN (2017632152)
3. NURUL ATHIRAH BT ZAWAWI (2017632028)
4. FATIMA HAZIRAH BINTI MOHD TAMIZI (2017896704)
5. RAIHAN BINTI SHAHABUDDIN (2017440826)

LECTURER’S NAME: DR NORHUDA BINTI ISMAIL

DATE OF SUBMITION: 31 OCTOBER 2018

CONTENT

1. ABSTRACT…………………………………………………………………………. 1

2. INTRODUCTION…………………………………………………………………… 2

3. METHODOLOGY…………………………………………………………………..

4. RESULTS……………………………………………………………………………

5. DISCUSSION……………………………………………………………………….

6. CONCLUSION………………………………………………………………………

7. REFERENCES……………………………………………………………………...
ABSTRACT

In this experiment, we studied the molecular mechanism for liquid-liquid extraction and
reexamine the old two film theory. It demonstrate the kinetics of solute that cross the
interface and in particular the structure of the interface at which two stagnant liquid films
adhere, with equilibrium and also non-equilibrium molecular dynamics simulation. The
simulation results show that beyond the two film theory, the interface is well structured
and plays a significant role in transferring the solute. It was found that at the well-
developed interface region, the overall density profile exhibit a dip, while the solute
concentration show a significant maximum. Free energy analysis demonstrates the
interfacial enrichment of solute molecule acting as a potential well for solute adsorption.
Therefore, different from the assumption of the two film theory, the simulation, show that
there exists a resistance for solute molecules crossing the interface, which could be
prevented only at high interface concentration of solute caused by interfacial
enrichment.
INTRODUCTION

Two film theory states that diffusion is a steady state process and the resistance
to mass transfer lies in two films on both sides of the interface. It is described by Fick's
first law,

𝑑𝑥𝐴 𝑑𝐶𝐴
𝑁𝐴 = −𝐶𝐷𝐴𝐵 = −𝐷𝐴𝐵
𝑑𝑦 𝑑𝑦

In occasion of one dimensional convective mass transfer, the concentration distribution

is linear. The coefficient of mass transfer in this special case is proportional to the
diffusion coefficient and inversely proportional to the film. This phenomenon is
frequently known as the film theory. The expression of mass transfer coefficient is
developed theoretically by visualizing the mechanism

a) Mass transfer occurs by molecular diffusion through a fluid layer at phase boundary
(solid wall). Beyond this film, concentration is homogeneous

b) Mass transfer through the film occurs at steady state.

c) Flux is low and mass transfer occurs at low concentration.

Film theory is useful in the analysis of mass transfer with chemical reaction. As for
turbulent flow, the mass transfer coefficient has much smaller dependency compared to
laminar flow. Although the film theory offers some explanation of the mechanism of
mass transfer in fluid media, it does not explain the estimation thickness of the film. Due
to this disadvantage, application of the model is restricted to mass transfer in a diffusion
cell.

The simplest conceptualization of the gas-liquid transfer process is credited to Nernst

(1904). Nernst proposed that near the interface there exists a stagnant film. This
stagnant film is hypothetical since we really don't know the details of the velocity profile
near the interface. In this film transport is governed essentially by molecular diffusion.
Therefore, Fick's law describes flux through the film.
In many cases with gas-liquid transfer we have transfer considerations from both sides
of the interface. Therefore, we use the Lewis- Whitman (1923) two-film model as
described below.

The same assumptions apply to the two films as apply in the single Nernst film model.
The problem is that we will now have difficulty in finding interface concentrations.

In biological, physical and also chemical processes, mass transfer of solutes through
the phase interface plays such an important role. Liquid- liquid extraction which also
widely known as process where extraction and partitioning of solvent occurred in which
through the process, transferring of solid molecules that contained in one liquid or
another immiscible liquid was involved. In liquid-liquid extraction, the principle of the
technique involves such the added solvent should be miscible with solute but immiscible
with the solvent of the solution is significant in the transferring of solute across liquid-
liquid interface from one solvent to another.

The properties of the liquid-liquid interface and liquid vapor interface have been
comprehensively investigated. This is first step to recognize the mass transfer that
occurred at the phase interface. Due to various application of inter-phase mass transfer
in liquid-liquid extraction, process such as phase transfer catalysis, drug delivery in
pharmacology, numerous macroscopic experimental reports have demonstrated the
principle of mass transfer of solute across liquid-liquid interface. Specifically, organic
solute across liquid-liquid interface is known to be diffusion controlled.
Theoretically, the mass transfer of liquid-liquid extraction was often explained by the
well-known two film theory. Based on this theory, different phase of the solvent are
separated by an interface, and two liquid films corresponding to the two phases
attached to this interface. The mass transfer occurs in two liquid films by the mechanism
of molecular diffusion. The interface between the two phases is considered to be sharp
boundary, where the concentration of the solute diffused is normally discontinuous.
Also, this interface is frequently expected to be in thermodynamic equilibrium with each
other. Thus, regarding this two film theory, there is no resistance in terms of mass
transfer across the interface and equilibrium is known to be exists. Truthfully, the two
film including existing models on inter-phase mass transfer, surface renewal, and the
penetration theory considered that the resistance of mass transfer is due to the liquid
film on either side of the interface, instead of interface itself.

Generally, we have to identify the condition of the boundary and the concentration of the
solute at the interface in order to theoretically define the rate at which solute is
transferred to another phase. As we know, the solute concentration is usually
discontinuous across the surface. Thus, the relationship between the concentrations of
the solute on either side of the interface such as boundary condition, is needed and
shown in a various of forms. Almost 100 years ago, the two film theory which have been
introduced provide a particular relationship for the boundary condition and is the key to
calculate the rate of mass transfer in practically relevant system.

Figure 1 Schematic drawing of (a) two

film theory and (b) the model based on
our simulation in this work, as well as
(c) the solute density and (d) chemical
potential evolution as solute and
enriches in the interface region
In a particular way, we urgently need to know the interface structure and corresponding
solute distribution at the interface to solve the well-known difficulty in identifying the
mass transition rate. Therefore, we demonstrated the molecular mechanism of LLE by
using molecular simulation and try to check the presumption in the two film theory for
inter-phase mass transfer together with clarifying basically the interface as a sharp
boundary and the use of macroscopically thermodynamic equilibrium to deal with
molecular size interface. Moreover, we also give thought to the detailed molecular
principle of how surfactant affects inter-phase mass transfer as the experimental
measurement indicate that the presence of surfactant crucially affects the mass transfer
coefficient.