Development and Validation of Multiple Physical Fields Coupling Model for Microwave-assisted Extraction

doi:10.7503/cjcu20210739

Abstract

Abstract:

A multiple physical fields coupling model was developed using Comsol for microwave-assisted extraction（MAE） of alpinetin from Alpinia katsumadai Hayata， which was based on the coupling relations between the microwave field， temperature field and concentration field. And the model was used to simulate electromagnetic field distribution， temperature distribution and alpinetin diffusion distribution under different time and microwave powers. The model was verified by comparing the simulated and experimental values of extraction temperature and the concentration of alpinetin. Isoquercitrin in Amomum villosum， which belongs to the ginger family， was used as the target to further verify the applicability of the multiple physical fields coupling model. The results showed that the electromagne-tic field intensity was stronger， the temperature of the extraction solution was higher， and the diffusion of alpinetin was more obvious with the increase of microwave power， that was benefit to the extraction. The root relative mean square error（RRMSE） of extraction solution temperature between the simulated and experimental values for alpinetin and isoquercitrin was 1.9%—4.5% and 1.9%—2.8%， and concentration RRMSE was 1.7%—3.2% and 1.6%—4.1%， which were all less than 5.0%， indicating that the model was accurate and reliable. The model comprehensively considered multiple physical fields and the coupling relationships in the MAE process， which could provide a reference for further study of extraction mechanism.

Key words: Microwave-assisted extraction, Multiple physical fields, Coupling model, Extraction mechanism, Alpinetin

CLC Number:

O657

TrendMD:

BI Gening, XIAO Xiaohua, LI Gongke. Development and Validation of Multiple Physical Fields Coupling Model for Microwave-assisted Extraction[J]. Chem. J. Chinese Universities, 2022, 43(3): 20210739.

Figures/Tables 14

Fig.1 Coupling relationship of the multiple physical fields for MAE

Fig.2 Mesh characteristics of the multiple physical fields coupling model for MAE

Table 1 Geometric parameters of the multiple physical fields coupling model for MAE

Variable symbol	Variable name	Values and units
wo	The width of microwave cavity	348 mm
do	The depth of microwave cavity	366 mm
ho	The height of microwave cavity	248 mm
wg	The width of waveguide	50 mm
dg	The depth of waveguide	78 mm
hg	The height of waveguide	18 mm
R_bottom_tube	The bottom diameter of sample bottle	17.5 mm
H_bottom_tube	The height of sample holder bottom	10 mm
R_bottom_hold	The radius of sample location	35 mm
R_tube	The radius of flask circular cavity	38.5 mm
tube2hold	Distance from bottom of beaker to top of support frame	22 mm
R_tube_neck	The radius of the bottleneck	14 mm
t_glass	The thickness of Glass wall	1.3 mm
H_liquid	The height of liquid level	30 mm
H_sample	The sample height	1 mm
Mole_Mass	The molar mass of the target molecule	270.2 g/mol
Mass	The sample quality	1 g

Table 2 Initial conditions, boundary conditions and equations

Physical field	Initial condition	Boundary condition and equation
Microwave field	t=0， E=0， H=0	（1） The boundary between the microwave cavity and the waveguide wall： $n · H = 0, ?? n · E = 0$
		（2） The boundary of glass， solvent and air： $n (H 2 - H 1) = 0, ?? n (E 2 - E 1) = 0$ $μ 0 μ r ε 0 ε r - j σ / ω n ? H + E - n ? E n = n ? E s n - E s$
Temperature field	t=0， $T = T 0$
Concentration field	t=0， $c 0 = 0$	Interface between solvent and glass： $? c = 0$ ， n（ $k ? T) = h (T - T ∞$ ）

Table 2 Initial conditions, boundary conditions and equations

Physical field	Initial condition	Boundary condition and equation
Microwave field	t=0， E=0， H=0	（1） The boundary between the microwave cavity and the waveguide wall： $n · H = 0, ?? n · E = 0$
		（2） The boundary of glass， solvent and air： $n (H 2 - H 1) = 0, ?? n (E 2 - E 1) = 0$ $μ 0 μ r ε 0 ε r - j σ / ω n ? H + E - n ? E n = n ? E s n - E s$
Temperature field	t=0， $T = T 0$
Concentration field	t=0， $c 0 = 0$	Interface between solvent and glass： $? c = 0$ ， n（ $k ? T) = h (T - T ∞$ ）

Fig.3 Structural formula of alpinetin(A) and isoquercitrin(B)

Fig.4 Typical chromatograms obtained by HPLC of 95.4 mg/L alpinetin standard solution(a) and extract of Alpinia katsumadai Hayata by MAE(b)(A) and 103.6 mg/L isoquercitrin standard solution(a) and extract of Amomum villosum by MAE(b)(B)Peak 1: alpinetin; peak 2: isoquercitrin.

Fig.5 Simulation nephogram of electromagnetic field distribution of MAE under 200 W microwave power at 1 s(A), 100 s(B), 200 s(C) and 300 s(D)

Fig.6 Simulation nephogram of temperature distribution of MAE under 200 W microwave power at 1 s(A), 100 s(B), 200 s(C) and 300 s(D)

Fig.7 Simulation nephogram of alpinetin diffusion distribution of MAE under 200 W microwave power at 1 s(A), 100 s(B), 200 s(C) and 300 s(D)

Fig.8 Simulation nephogram of electromagnetic field distribution of MAE under 100 s with microwave powers of 100 W(A), 200 W(B), 400 W(C) and 800 W(D)

Fig.9 Simulation nephogram of temperature distribution of MAE under 100 s with microwave powers of 100 W(A), 200 W(B), 400 W(C), 800 W(D)

Fig.10 Simulation nephogram of alpinetin diffusion distribution of MAE under100 s with microwave powers of 100 W(A), 200 W(B), 400 W(C), 800 W(D)

Fig.11 Comparison between simulated and experimental temperature evolutions for MAE alpinetin(A) and isoquercitrin(B)Simulation values: 100 W(a), 200 W(b), 400 W(c), 800 W(d); experimental values: 100 W(a′), 200 W(b′), 400 W(c′), 800 W(d′).

Fig.12 Comparison between simulated and experimental concentration evolutions for MAE alpinetin(A) and isoquercitrin(B)Simulation values: 100 W(a), 200 W(b), 400 W(c), 800 W(d); experimental values: 100 W(a′), 200 W(b′), 400 W(c′), 800 W(d′).

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