Lithos 332–333 (2019) 287–295

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Lithos

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Compositional zoning in garnet and its modification by diffusion during

pressure and temperature changes in metamorphic rocks; an approach
and software
Shah Wali Faryad ⁎, Josef Ježek
Faculty of Sciences, Charles University, Prague 12843, Czech Republic

a r t i c l e i n f o a b s t r a c t

Article history: We present an approach and software for modelling the Compositional Zoning in Garnet and its Modification by
Received 12 December 2018 diffusion (CZGM), which combines pseudosection modelling using Perple_X and multicomponent diffusion in
Accepted 2 March 2019 garnet during metamorphism. CZGM uses the initial compositional profile, obtained by Perple_X with application
Available online 12 March 2019
of garnet fractionation, to generate a population of garnets of prescribed size-distribution and to apply multicom-
ponent diffusion along a selected P-T path during prograde metamorphism and subsequent decompression and/
Keywords:
Garnet zoning
or cooling. As an example, CZGM was applied on average pelitic rocks subjected to metamorphism at different
Multicomponent diffusion temperatures (600 to 800 °C) and time duration of 1–10 Ma. CZGM provides an easy-to-handle tool for petrolo-
Metamorphism gists to examine hypothetical scenarios of garnet development along prograde and retrograde paths and to con-
Geospeedometry strain the P-T path of the whole metamorphic event. By treatment of laboratory measured garnet-bearing
metamorphic rocks, it allows to improve the accuracy of pressure and temperature conditions, usually estimated
only from compositional isopleths of garnet.
© 2019 Elsevier B.V. All rights reserved.

1. Introduction
Garnet is a common mineral in metamorphic rocks and it is widely
used for pressure and temperature estimation (e.g. Blackburn and
Navarro, 1977; Ellis and Green, 1979; Ferry and Spear, 1978; Khon and
Spear, 1989). Its composition reflects the bulk rock chemistry as well as
reaction progress during changing pressure and temperature conditions,
whereby a high number of major, and trace elements notably HREE, are
preferentially incorporated in the garnet structure. The classic bell-
shaped patterns of some of these elements are considered to occur due
to a fractionation-depletion mechanism during garnet growth (e.g.
Hollister, 1966; Harte and Henley 1966; Jones and Galwey, 1966;
Atherton, 1968; Edmunds and Atherton, 1971; Okrusch, 1971; Banno
and Kunere, 1972; Korikovsky et al., 1974; Tracy et al., 1976; Yardley,
1977; Woodsworth, 1977; Tracy, 1982; Loomis and Nimick, 1982;
Cygan and Lasaga, 1982). These zoning patterns of major component dis-
tributions enable tracing of pressure-temperature changes during pro-
grade metamorphism, where compositional isopleths of garnet are
calculated based on fractionation of the bulk rock composition during
pressure and temperature increase (Holland and Powell, 1998;
Connolly, 2005). However, the concentration gradient developed during
garnet growth undergoes modification as a function of temperature and
⁎ Corresponding author.
E-mail addresses: faryad@natur.cuni.cz (S.W. Faryad), jezek@natur.cuni.cz (J. Ježek).
time (Chakraborty and Ganguly, 1992; Ganguly et al., 1998; Loomis et al.,
1985). As diffusion of the concentration gradient exponentially increases
with temperature, it is essential to predict the original zoning profile and
quantify the extent of modification by comparison with the measured
profile as a function of time.
Spear et al. (1991) and Florence and Spear (1991) developed a com-
puter program (DiffGibbs) that could predict the chemical-zoning pat-
tern of garnet growing in equilibrium with a given set of phases along
a specific P–T–t path. This program accounts for chemical fractionation
during garnet growth as well as for intragranular diffusion in garnet.
This procedure was further improved by Gaidies et al. (2008), who
combined the diffusion modelling with Theriak-Domino software
(De Capitani, 1994) to simulate initial and diffusional compositional
profiles during prograde garnet growth. Preservation of garnet of vari-
ous sizes and temperature and times was modelled by many authors
(e.g. Loomis, 1986; Chakraborty and Ganguly, 1990; Perchuk and
Gerya, 2005; Caddick et al., 2010). As modification of the initial profile
in garnet by diffusion occurs during both prograde and retrograde
stages, it is necessary to quantify diffusion also during the retrograde
stage and eventually to constrain the whole P-T loop experienced by
the rock.
In this paper, we combined pseudosection modelling by Perple_X or
Vertex (Connolly, 2005, updated 2018), that is widely used among
metamorphic petrologists, with multicomponent diffusion simulation
(Faryad and Chakraborty, 2005). This is aimed to constrain the P–T

https://doi.org/10.1016/j.lithos.2019.03.002
0024-4937/© 2019 Elsevier B.V. All rights reserved.
288 S.W. Faryad, J. Ježek / Lithos 332–333 (2019) 287–295

Fig. 1. P-T pseudosection for average metapelite composition (wt%) of Shaw (1956), calculated using Perple_X and solution models as discussed in text. Mineral abbreviations are: ab-
albite, bt-biotite, chl-chlorite, fsp-feldspar, gt-garnet, mica-white mica, tnt-titanite, zo-zoisite.

path and estimate the time needed for diffusion of the initial profile in
garnet based on the fractionated mode of Perple_X. The new software
(CZGM – Compositional Zoning in Garnet and its Modification by diffu-
sion during metamorphism) allows quantifying compositional changes
in garnet as a function of grain size, temperature and time duration of a
metamorphic process. It can be used for rocks with different composi-
tions and metamorphic degrees. In addition to clockwise P-T path, illus-
trated in this work, it allows to predict compositional zoning in garnets
along arbitrary P-T paths and rocks underwent multistage or
polymetamorphic evolution.

Fig. 2. Isopleths of major components (a-d) and garnet volume % (e), calculated for average metapelite and pseudosection in Fig. 1. (f) shows hypothetical P-T paths with maximum
temperature reached by the rock: 612 °C (Thg), 650 °C (PT1), 700 °C (PT2), 750 °C (PT3) and 800 °C (PT4). The (Thg) P-T path is similar to that by (Gaidies et al., 2008).
 S.W. Faryad, J. Ježek / Lithos 332–333 (2019) 287–295 289

Fig. 3. (a) Size distribution of garnet used for garnet growth simulation. The selected garnet (marked by circle) is among the largest garnet grains. The cube in the right corner is a
visualization of grain sizes in 3D. (b) Positions of garnet growth increments in the P-T space, indicated for path (Thg) and (PT4) from Fig. 2f. Note the jump in position of garnet
formation that occurs between core at ca 450 °C/0.35 GPa and the rest of garnet that stabilizes above 550 °C/0.7 GPa. (c) indicates volume content of garnet formed along path PT4 at
relative time (tr). Dotted line is garnet growth at individual increments and solid line indicates cumulative amounts from all increments. (d) shows concentration change of Fe, Mg, Ca
and Mn in bulk rock after fractionation of crystallized garnet along path PT4. Vertical axis is normalized ratios of these elements.

1.1. The procedure of modelling
A hypothetical or plausible P-T path for garnet growth is constrained
based on available petrological data or calculated isopleths for the bulk
composition in a selected rock. This P-T path is further used to obtain
modal proportions and equilibrium compositions of major element ra-
tios XFe, XMn, XMg, XCa (Xi = Xi/ΣXi) using fractionation mode in Per-
ple_X program (Connolly, 2005). The available garnet-forming
material is considered to distribute among a garnet population of pre-
scribed size-distribution (Gaidies et al., 2008, 2015), whereby garnets
grow as spherical shells of constant radius. Details of this procedure
are given in the Appendix 1. Multicomponent diffusion is applied both
during garnet growth and subsequent (retrograde) P-T path. Equations
of diffusion are solved by the finite difference method (Crank, 1975)
with several options for diffusion coefficients (Chakraborty and
Ganguly, 1992; Carlson, 2006; Vielzeuf et al., 2007) and for boundary
conditions (see Appendix 2).
The modelling consists of several steps that are outlined below. Ex-
amples of the output files are illustrated in Appendix 3.
(0) Preparation and initial setup. An appropriate (real or hypotheti-
cal) rock sample with analysed garnet is selected. Based on the
bulk rock chemistry and pseudosection modelling by Perple_X
(updated 2018 version), isopleths of the major components in
garnet are calculated. Plots of isopleths help to select the P-T
path along which the fractionation, garnet growth and diffusion
are to be calculated.
(1) Construction of the P-T path. According to the assumed P-T
conditions, a P-T path is constructed by a computer mouse or
by the input of data from a file. The initial compositional profiles
are interpolated from major component isopleths and plotted for
preview.
(2) Fractionation along the P-T path. Fractionation mode of the Per-
ple_X program is used to obtain P-T-points of garnet formation,
its volume and concentration of major elements. This step also
permits to compare compositional profiles interpolated from
the isopleths (prepared already in step 0) with those created by
fractionation along the selected P-T path.
(3) Formation of a garnet population. The available garnet-forming
material (computed in step 2) is distributed among the garnet
population of prescribed size-distribution, where garnets grow
as spherical shells of constant radius. One member of a garnet
population is chosen that is passed to subsequent diffusion
modelling and its initial profile is prepared and plotted.
(4) Assignment of time to P-T path. Before diffusion, real time-scale
must be assigned to the P-T path. Option 1: Time was already de-
fined together with the P-T path. Option 2: Time is set up for se-
lected important points of the P-T path with the computer mouse
and interpolated to all remaining points. Option 3: Actual time-
scale is enlarged or shorten by means of a multiplicative time-
factor.
(5) Multicomponent diffusion in a chosen garnet. Multicomponent
diffusion is applied to the selected garnet from the point of its nu-
cleation until the end of the P-T path. Various diffusion coeffi-
cients are possible to use. Along the part of P-T path where
garnet grows, fixed boundary conditions are applied, defined
290 S.W. Faryad, J. Ježek / Lithos 332–333 (2019) 287–295

Fig. 4. Comparison of concentrations profiles with and without fractionation (a, b), and diffusion modification of initial profiles (c, d) calculated using Theriak with application of Theria_G
(Geides et al., 2008) and using Perple_X with application of CZGM (this work). (a) and (b) show changes in concentration of Fe, Mn, Mg, Ca in garnet during its formation along selected P-T
paths (Thg and PT4). The solid curves indicate variations of elements composition based on the isopleths (Fig. 2a-d), calculated for bulk rock chemistry without considering fractionation.
The circles show formation of garnet using fractionation mode of Perple_X. Note that after consumption of Mn and partly of Ca in the core, the new garnet grows with compositional jump.
The core compositions with the new garnet are connected by dashed lines. (c) and (d) show comparison of diffusion of the initial compositional profiles by Gaidies et al. (2008) and this
work. In both cases, the calculation is done for garnet no 14 (Fig. 3a) and heating/cooling rate of ±5 °C/Ma (total 64 Ma duration for the whole process). Boundary conditions for (d) were
set up according to the original isopleths.

by concentrations of the outer garnet rim. Boundary conditions
for the remaining part of the P-T path are optional: concentra-
tions defined by measured data, concentrations interpolated
from the original isopleths or the system is considered as closed.
Resorption of garnet is not considered in this stage of the
program.
2. Examples of modelling
2.1. Pseudosection and isopleth calculations
To illustrate the fractionation process and verify the results of this
procedure, we use the average metapelite (Shaw, 1956) similar to that
used by Gaidies et al. (2008). The pseudosection was calculated using
the new version (2018) of Vertex-Perple_X (Connolly, 2005) in the sys-
tem SiO2–TiO2–Al2O3–FeO–MgO–CaO–MnO–Na2O–K2O and the inter-
nally consistent thermodynamic dataset of Holland and Powell
(1998), upgraded in 2004 (Fig. 1). The first calculation was done in
the P-T range of 0.25–1.05 GPa and 400–650 °C similar to that by
Gaidies et al. (2008). Solution models used for garnet, biotite, white
mica, staurolite, cordierite and ilmenite are from White et al. (2014).
But to obtain the P-T stability field of equilibrium mineral assemblages
similar to those obtained by Gaidies et al. (2008), mainly for the low
P-T boundary of the garnet-forming reaction, the chlorite solution
model by Holland et al. (1998) has been used. This difference in the po-
sition of the garnet forming reaction is due to inconsistency within the
thermodynamic databases. As shown by Gaidies et al. (2008), the mod-
ification of garnet profile by diffusion in the above selected P-T range is
very small. To examine the extent of diffusion at higher temperatures,
we extended this P-T range up to 850 °C and 1.2 GPa. Although the
melt model of Holland and Powell (1998) was used for high-
temperature no visible change was observed in position of the isopleths.
For simplification only one pseudosection (Fig. 1) with H2O in excess is
shown. Isopleths of XFe, XMn, XMg, XCa and modal contents of garnet
formed (vol) are shown in Fig. 2a-e.
2.2. Garnet size distribution and P-T paths
Crystal size distribution (CSD) within a rock provides first order in-
formation on nucleation and growth rates of minerals, and for garnet
in metamorphic rocks it has been widely discussed (e.g. Carlson, 1989;
Gaidies et al., 2008; Jones and Galwey, 1966; Kretz, 1973). The nucle-
ation and growth of garnet during metamorphic crystallization is as-
sumed to occur as a periodic process, where garnet nucleates in
pulses, creating gradually size-classes of CSD (that later can be observed
in the rock) and grows controlled by the rate and direction with which
the thermodynamic model system progresses through the P–T–bulk
composition (X) space. In our model, CSD is considered as a necessary
input parameter, where a garnet population has a selected size-
distribution. For detailed study, a relatively large and common garnet
crystal (marked by a circle in Fig. 3a; in the size-distribution composed
of 50 classes the garnet has number 14), that grows along the used P-T
 S.W. Faryad, J. Ježek / Lithos 332–333 (2019) 287–295 291

Fig. 5. Diffusion of the selected garnet crystal (no. 14) as a function of different temperatures reached by the rocks (a-d, paths PT1–4, Fig. 2f) and times (1, 2, 5 10 Ma). The initial profile is
shown as a thin line with compositional jump that gradually diffused towards the rim. Garnet is considered as a closed system with no influx of elements from the matrix to the garnet rim.
Note that garnet profiles modify and become flat (mainly at 800 °C, PT4 and duration of 10 Ma) along the whole core to rim distance.

path (Fig. 2f), was selected. This garnet grows during two stages of
metamorphism. Its formation during the early stage is facilitated by
the presence and consumption of most of the Mn in the system
(Figs. 3b, 4a-b). This is consistent with the observation by Loomis and
Nimick (1982 and Loomis (1986), who assumed garnet growth in two
stages related to chlorite and staurolite breakdown reactions during
progressive metamorphism in pelitic rocks. In our case, almost one-
third of the radius of the selected garnet crystal is formed during the
first stage.
With further increase of P-T conditions, the garnet growth almost
stops and its stability field is shifted to higher temperature and pressure
(Fig. 3b). This results in a jump in composition between a Mn-rich gar-
net core (stabilized at relative time tr = 0 and 450 °C) and the rest of
garnet stabilized at about tr = 0.35/550 °C (Fig. 4a, b, c). Volumetrically,
about 0.35 vol% of garnet from the whole 9.6 vol% in the sample forms in
the position of t0 at around 450 °C and the rest above tr = 0.35 and
550 °C (Fig. 3b, c), where most of that (about 8 vol%) forms between
550 and 600 °C. Although the mechanism of garnet nucleation and
porphyroblast formation is the subject of discussion, e.g. coalescence,
Oswald ripening, growing of individual grains, etc. (see: Carlson, 1989,
1991; Miyazaki, 1991; Carlson et al., 1995; Carlson and Denison, 1992;
Chakraborty and Ganguly, 1990; Daniel and Spear, 1998; Denison and
Carlson, 1997; Kretz, 1973, 1974, 1993; Spiess et al., 2001; Faryad et
al., 2010), a simple scenarios as used here provides the basis to constrain
a more complex situation.
In addition to a compositional jump, Fig. 4a, b also shows the differ-
ence between concentrations of elements calculated without fraction-
ation (thin lines) and with fractionation (circles). In the case of garnet
formation during the second stage, the results of two methods show dif-
ferences in the concentrations of Fe and Mn values at the beginning, but
near to the rims, the results for Fe, Mg and Ca deviate. The differences are
significant and in case of application to thermometry they can result in
substantial differences in the calculated pressure and temperature condi-
tions. Note also that fractionation provides P-T points where garnet starts
and ends its growth. Without this we do not know when the rock poten-
tial for garnet development is exhausted and stops the garnet growth.
2.3. Temperature and time relations of diffusion in garnet
In order to analyse the extent of diffusion modification of the initial
garnet profiles, a multicomponent diffusion approach (Lasaga, 1979;
Loomis, 1986; Chakraborty and Ganguly, 1992; Ganguly et al., 1998;
Faryad and Chakraborty, 2005; Vielzeuf et al., 2005; Perchuk et al.,
2009) with tracer diffusion coefficients given in Chakraborty and
Ganguly (1992) was used for different P-T paths and time durations. In
addition to the P-T path (Thg) by Gaidies et al. (2008) that is selected
for comparison and reaches a maximum temperature of 612 °C, four
other P-T paths with a maximum temperature of 650, 700, 750 and
800 °C were chosen (Fig. 2f). In all cases, calculations were performed
for the time duration of 1, 2, 5 and 10 Ma. The garnet rim is always consid-
ered in thermodynamic equilibrium with the rock matrix during prograde
growth. This is due to the intergranular transport that is fast as well as ef-
ficient (i.e. the concentration of elements in the grain boundary medium
is sufficient to ensure equilibrium, Dohmen and Chakraborty, 2003). It
means for each time step we maintain constant boundary concentrations
corresponding to fractionation at a given P-T-point.
Our approach allows modelling both for the prograde and retro-
grade parts of P-T paths. In this study, heating and cooling rates for
each increment of the P-T loops are assumed to be the same during
both prograde and retrograde stages. In case of application to a mea-
sured metamorphic garnet, the extent of diffusion during cooling at
the rim part of a garnet profile could be estimated by comparison of
292 S.W. Faryad, J. Ježek / Lithos 332–333 (2019) 287–295
Fig. 6. Diffusion of the selected garnet crystal (no. 14), similar to Fig. 5, but with open boundary conditions during cooling and calculated based on compositional isopleths (see Fig. 2). Mn is
set to zero as it was depleted during the earlier stage of garnet formation.
the calculated and measured profiles. The analyses closest to the rim of
garnet in the measured profiles are considered as the end-member con-
centrations to which the calculated profile should converge during
cooling and retrogression. Nevertheless, as our study is hypothetical
and we have no measured profile to compare with, we considered
boundary condition as follows.
By the closed system boundary conditions, the rim of garnet does
not communicate with the matrix and the initial profile is modified by
its compositional gradient. The results of this calculation for different
peak temperatures and time duration are shown in Fig. 5.
Calculation by open boundary conditions assumes that cation diffu-
sion at the interface between garnet and matrix during cooling and de-
compression is known. This is complicated and case dependent if type of
reaction, mass balance and timescale are taken into consideration. Two
simple possibilities exist which could be used as a first-order approxi-
mation: (1) composition of the fractionated rock surrounding garnets
and (2) the original isopleths as potential for garnet formation. Testing
the first possibility showed an increase of Mg and decrease of Fe at
rims of garnet, which are not consistent with many retrograde zonings
in garnet (see Spear, 1993). Based on experimental works and exchange
thermometry, used for pelitic rocks, the Mg/Fe ratios in garnet
coexisting with biotite should decrease during cooling as result of the
Fe\\Mg end-member component reaction between these two phases
(Ferry and Spear, 1978; Ganguly and Saxena, 1984; Perchuk and
Lavrent'eva, 1983). Considering the original isopleths, we assume the
rim-most points of the garnet profile should converge to the concentra-
tion defined by isopleths crossed by the retrograde P-T path. This vari-
ant provided more realistic results than the first one (Fig. 6). However,
it neglects that the bulk rock composition was changed due to garnet
fractionation. Note also that in the case of cooling during decompres-
sion, diffusion becomes slower. Therefore, an application of open
boundary conditions prioritizes what happened at higher temperatures,
close to the P-T-point where the garnet formation ended. Comparison of
our results (Fig. 6) with Gaidies et al. (2008) confirms that minor diffu-
sion occurs for garnet with 10 mm diameter and slowest heating/
cooling rates (±5 °C/Ma), where a maximum temperature of 612 °C
was reached (Fig. 4c). This is true for both garnets nucleated at the
garnet-in boundary (garnet no 1) or later (garnet no 10) and they
have similar core compositions. Moderate to considerable diffusion oc-
curs in domains with high compositional gradients and the amounts
of diffusion increases with time or heating/cooling rates. The results ob-
tained for different heating cooling rates of ±50/Ma, ±20/Ma, and ± 5
°C/Ma are similar to those reported by Gaidies et al. (2008). The differ-
ence exists with the initial profile, which in case of Gaidies et al.
(2008) is without fractionation (Fig. 4a) and in our case with fraction-
ation (Fig. 4b). Consistent with Chakraborty and Ganguly (1992), diffu-
sion of Mn and Fe in garnet is substantially faster than of Ca and Mg and
this is visible for the slow heating/cooling rate of ±5 °C (Fig. 4c, d). In-
teresting feature, observed in all calculations at relatively low tempera-
ture and/or low time duration, is the uphill diffusion of Ca that can be
seen Figs. 4d, 5a, b and 6a, b. It is interpreted to occur as result from
strong coupling of diffusion flux of element to other elements in a mul-
ticomponent system (e.g. Zhang, 2008). Such coupling effects often
arise from strong thermodynamic non-idealities.
Figs. 5 and 6 indicate the results of diffusion modification of a com-
positional profile in garnet (no 14, Fig. 3a), obtained at time-scale of 1,
2, 5 and 10 Ma for different maximum temperatures (650, 700, 750
and 800 °C) reached by the rock (P-T paths in Fig. 2f). In the case of
closed system boundary conditions and duration of 2 and 5 Ma with
maximum temperature reached 650 °C, diffusion is visible only in do-
mains with strong compositional gradients. But for longer time periods
of 10 and 20 Ma the core composition changes in the range of 5–12% Mn
 S.W. Faryad, J. Ježek / Lithos 332–333 (2019) 287–295
mainly against Fe. In the case of 700 °C, visible diffusion of Mg and Ca oc-
curs above the 5 Ma duration, but in the case of 20 Ma, the Mn and Fe
become almost flat in the garnet core. For maximum temperatures of
750 °C and time duration up to 2 Ma, weak zoning of Mn and Fe profile
in the core of grain can be preserved. But with long duration of the pro-
cess, the initial profiles become flat and during 20 Ma, both Ca and Mg
are significantly modified. Significant diffusion occurs for a maximum
temperature of 800 °C and time duration longer than 10 Ma. At 5 Ma,
there is still some indication of prograde zoning.
3. Discussion
The modelling approach used by the Perple-X program (Connolly,
2005) is applied to spherical garnet that nucleates in metapelitic rock
with water in excess and grows along a selected P-T path. It is assumed
that the chemical potential gradient of each reacting species in the rock,
that forms at the garnet/matrix interface, is small and thermodynamic
equilibrium is maintained over volume domains of a hand specimen
size or even on a larger scale (Carlson, 1989; Kretz, 1993; Spear and
Daniel, 1998). In the case of limited water in the system, the garnet-
forming reaction can be delayed to higher temperatures (e.g. Spear,
2017), which means also a shorter time duration of the metamorphic
process. By application of a multicomponent diffusion approach
(Chakraborty and Ganguly, 1992; Faryad and Chakraborty, 2005) on
an initial compositional profile in garnet, the CZGM software allows
quantification of the extent of modification of prograde zoning during
a single metamorphic event. In the following, we discuss some limita-
tions but also main findings that help to verify or improve the already
estimated P-T paths.
3.1. Growth zoning in garnet and its implication for P-T estimate
As mentioned above, pseudosection modelling (Connolly, 1995; De
Capitani, 1994; Powell et al., 1998) became an important tool for P-T es-
timate in metamorphic rocks during the last two decades. The bulk rock
composition is used not only to predict the stability fields of the ob-
served mineral assemblages but compositional zoning in minerals,
mainly in garnet is further applied to develop the P-T path of the rock.
Consistent with (Loomis, 1986), the important information, obtained
by using garnet fractionation approach of Perple_X program, is that gar-
net stabilized in two stages. The initial stage is due to the presence of Mn
in the original bulk rock matrix that stabilizes garnet at relatively low
P-T conditions. Formation of Mn-rich garnet during the early stage of
metamorphism is supported by many observations, e.g. the existence
of one or several Mn-rich domains in garnet porphyroblasts that are ex-
plained as result from multiple nucleation and coalescence during early
stage of garnet formation an latter overgrown by Mn-poor garnet
(Dobbs et al., 2003; Spear and Daniel, 1998; Spiess et al., 2001). After
Mn is consumed, the garnet growing process minimizes or even stops
and the stability field of garnet is shifted to higher P-T conditions. For-
mation of the second garnet is controlled by the availability of other el-
ements (e.g. garnet stabilizes first in a system with Fe/Mg ratios) and
reactions among other minerals present in the system (Spear, 1993).
As Mn diffusion is relatively fast, compared to other major elements in
garnet, a possible compositional jump produced between first and sec-
ond garnets changes and the compositional profile becomes gradual as a
function of temperature and time duration (Loomis and Nimick, 1982).
In case that compositional zoning in garnet was not strongly modified, a
comparison of the initial and compositionally modified profiles allows
prediction of the position in the P-T space, when the garnet with such
an initial profile started to grow.
The second observation seen by using this approach is the devia-
tion of a compositional profile calculated using the fractionation
model from that without fractionation. For the examined metapelitic
rocks, this deviation occurs both at the beginning and at the end of a
compositional profile calculated for the selected P-T path (Fig. 3c, d).
293
Depending on the degree of metamorphism, the difference between
P-T conditions resulted by using these two models with and without
fractionation can be significant. Application of the fractionation
model can help to answer the question, why the calculated isopleths
do not cross cut at estimated P-T conditions or along a predicted P-T
path by other methods.
3.2. Compositional modification of prograde zoning profile in garnet and es-
timate of time duration of metamorphic process
Diffusional modification of garnet zoning by temperature and time
duration is applied to a garnet profile calculated using a fractionated
bulk rock composition. It is primarily used for metamorphic rocks
with measured garnet, where a calculated profile after diffusion is com-
pared with the one measured in garnet. But it can also predict the extent
of diffusion in garnet theoretically calculated by Perple_X for a selected
P-T path. In this case, simulation and fitting of the initial compositional
profile, calculated with fractionation, and its modification by diffusion
with the measured profile in natural garnet allows constraining of the
real P-T path. This is possible even in case of formation of garnet during
two different metamorphic stages or metamorphic events. Based on a
combination of temperature and time, this approach helps to estimate
the real-time duration and verifies, whether the selected P-T is
plausible.
The results of closed and open (based on isopleths) system boundary
conditions in Figs. 5 and 6 show that except rims, compositional modi-
fication of most of the initial profiles are similar. The degree of modifica-
tion increases from P-T paths 1 to 4 (650, 700, 750 and 800 °C) and for
time durations of 1, 2, 5 and 10 Ma. In all cases, modification of the rim
part of composition profile is calculated for relatively steep retrograde
P-T path with cooling and decompression, but it should be tested for
various P-T paths and compared with measured profiles in different gar-
net present in the selected sample. As mentioned before, garnet resorp-
tion and partial decomposition during retrogression is not considered in
this program. This would require a more complex solution that involves
mass balance calculation, back diffusion of elements into garnet rims
and should be tested against a series of measured garnets from natural
rocks.
Although the illustration of CZGM program has been done for a clas-
sic pelitic rock in a clockwise P-T path, the tool can be used much more
broadly - for other bulk compositions (e.g. mafic), and other shapes of
P-T paths (e.g. clockwise vs. anticlockwise). In many cases, mainly in
high-pressure rocks, isopleths of prograde zoning garnet do not fit
well with the pressure and temperature conditions that are estimated
by other methods. Such inconsistency can be observed even in low- to
medium- temperature eclogite, where strong prograde zoning in garnet
is preserved (e.g. Faryad et al., 2013). This is mainly due to the bulk rock
fractionation, which is not considered in the pseudosection modelling.
4. Conclusions
The presented software CZGM is aimed as an easy-to-handle tool for
petrologist to check and examine ideas about the prograde and retro-
grade history of metamorphic rocks by means of numerical modelling
of garnet formation. By the combination of one of the widely used ther-
modynamic modelling software (Perple_X) and of multicomponent dif-
fusion modelling in garnet it permits to trace prograde P-T path and
cooling history of the host rocks. Garnet zoning is calculated based on
the corresponding fractionated bulk rock composition. The calculated
initial profile is subjected to diffusion and the resulting profile can be
compared with a measured profile in natural garnet or serve for testing
hypothetic P-T paths and to obtain constraints for the time duration of
metamorphic processes. Boundary conditions allow to model garnet
as an open or closed system and different variants for diffusion coeffi-
cients are available. By application of more complex P-T paths, the soft-
ware has also potential to constrain metamorphic history of rocks
294 S.W. Faryad, J. Ježek / Lithos 332–333 (2019) 287–295
subject to complex evolution with multistage grown garnet formed dur-
ing different metamorphic events.
Acknowledgments
This work was supported by financial support of Czech Grant Agency
(project 18-03160S) and by Charles University through project Progress
Q45. The authors thank J. Connolly, S. Chakraborty and F. Gaidies for nu-
merous discussions about Perpl_X program and diffusion in garnet that
helped to create the software. We gratefully acknowledge A. Perchuk
and S. Chakraborty for constructive reviews. M. Scambelluri is thanked
for helpful editorial comments.
Appendix A. Supplementary data
Supplementary data to this article can be found online at https://doi.
org/10.1016/j.lithos.2019.03.002.
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