--- interfacial/interfacial.tex	2011/07/26 19:43:10	3751
+++ interfacial/interfacial.tex	2011/07/26 23:01:51	3752
@@ -190,12 +190,15 @@ ways to define $G$. One way is to assume the temperatu
 temperature of the two separated phases.
 
 When the interfacial conductance is {\it not} small, there are two
-ways to define $G$. One way is to assume the temperature is discrete
-on the two sides of the interface. $G$ can be calculated using the
-applied thermal flux $J$ and the maximum temperature difference
-measured along the thermal gradient max($\Delta T$), which occurs at
-the Gibbs deviding surface (Figure \ref{demoPic}): \begin{equation}
-  G=\frac{J}{\Delta T} \label{discreteG} \end{equation}
+ways to define $G$. One common way is to assume the temperature is
+discrete on the two sides of the interface. $G$ can be calculated
+using the applied thermal flux $J$ and the maximum temperature
+difference measured along the thermal gradient max($\Delta T$), which
+occurs at the Gibbs deviding surface (Figure \ref{demoPic}):
+\begin{equation}
+  G=\frac{J}{\Delta T}
+\label{discreteG}
+\end{equation}
 
 \begin{figure}
 \includegraphics[width=\linewidth]{method}
@@ -296,7 +299,7 @@ between periodic images of the gold interfaces is $35 
 solvent molecules would change the normal behavior of the liquid
 phase. Therefore, our $N_{solvent}$ values were chosen to ensure that
 these extreme cases did not happen to our simulations. The spacing
-between periodic images of the gold interfaces is $35 \sim 75$\AA.
+between periodic images of the gold interfaces is $45 \sim 75$\AA.
 
 The initial configurations generated are further equilibrated with the
 $x$ and $y$ dimensions fixed, only allowing the $z$-length scale to
@@ -347,9 +350,7 @@ particles of different species.
   these simulations. The chemically-distinct sites (a-e) are expanded
   in terms of constituent atoms for both United Atom (UA) and All Atom
   (AA) force fields.  Most parameters are from
-  Refs. \protect\cite{TraPPE-UA.alkanes,TraPPE-UA.alkylbenzenes} (UA) and
-  \protect\cite{OPLSAA} (AA).  Cross-interactions with the Au atoms are given
-  in Table \ref{MnM}.}
+  Refs. \protect\cite{TraPPE-UA.alkanes,TraPPE-UA.alkylbenzenes,TraPPE-UA.thiols} (UA) and \protect\cite{OPLSAA} (AA). Cross-interactions with the Au atoms are given in Table \ref{MnM}.}
 \label{demoMol}
 \end{figure}
 
@@ -386,15 +387,13 @@ included in our studies as well. For hexane, the OPLS-
 this solvent model.
 
 Besides the TraPPE-UA models, AA models for both organic solvents are
-included in our studies as well. For hexane, the OPLS-AA\cite{OPLSAA}
-force field is used, and additional explicit hydrogen sites were
+included in our studies as well. The OPLS-AA\cite{OPLSAA} force fields
+were used. For hexane, additional explicit hydrogen sites were
 included. Besides bonding and non-bonded site-site interactions,
 partial charges and the electrostatic interactions were added to each
-CT and HC site. For toluene, the United Force Field developed by
-Rapp\'{e} {\it et al.}\cite{doi:10.1021/ja00051a040} was adopted, and
-a flexible model for the toluene molecule was utilized which included
-bond, bend, torsion, and inversion potentials to enforce ring
-planarity. 
+CT and HC site. For toluene, a flexible model for the toluene molecule
+was utilized which included bond, bend, torsion, and inversion
+potentials to enforce ring planarity. 
 
 The butanethiol capping agent in our simulations, were also modeled
 with both UA and AA model. The TraPPE-UA force field includes
@@ -730,7 +729,7 @@ case, $G$ decrease could not be offset but instead acc
 would not offset this effect. Eventually, when butanethiol coverage
 continues to decrease, solvent-capping agent contact actually
 decreases with the disappearing of butanethiol molecules. In this
-case, $G$ decrease could not be offset but instead accelerated. [NEED
+case, $G$ decrease could not be offset but instead accelerated. [MAY NEED
 SNAPSHOT SHOWING THE PHENOMENA / SLAB DENSITY ANALYSIS]
 
 A comparison of the results obtained from differenet organic solvents
@@ -956,11 +955,11 @@ Au(111) surface\cite{vlugt:cpc2007154}. This differenc
 
 Vlugt {\it et al.} has investigated the surface thiol structures for
 nanocrystal gold and pointed out that they differs from those of the
-Au(111) surface\cite{vlugt:cpc2007154}. This difference might lead to
-change of interfacial thermal transport behavior as well. To
-investigate this problem, an effective means to introduce thermal flux
-and measure the corresponding thermal gradient is desirable for
-simulating structures with spherical symmetry.
+Au(111) surface\cite{landman:1998,vlugt:cpc2007154}. This difference
+might lead to change of interfacial thermal transport behavior as
+well. To investigate this problem, an effective means to introduce
+thermal flux and measure the corresponding thermal gradient is
+desirable for simulating structures with spherical symmetry.
 
 \section{Acknowledgments}
 Support for this project was provided by the National Science
