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        <h1>
          <a href="index.html">Whitmer Research Group</a>
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        <h2> Soft Materials Modeling and Computation</h2>
        <h3>
          <a href="http://cbe.nd.edu"> Department of Chemical and Biomolecular Engineering</a>
          //
          <a href="http://engineering.nd.edu"> College of Engineering </a>
          //
          <a href="http://www.nd.edu">University of Notre Dame</a>
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        <h2>Smart, responsive polyelectrolyte materials</h2>

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      <div class="a">
        <a href="#"><img src="img/tugowar.png"
                         alt="Weak Polyelectrolyte Phases"></a>
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       An illustration of the inherent tug of war between solvophobic (self-association) interactions, charge coupling strength, and pH in determining the swelling behavior of an isolated weak polyelectrolyte.
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        <p> Polyelectrolyte materials, both natural and man-made, have a wide
          variety of applications. Within the Whitmer Group, we are interested
          in elucidating important phase transitions, instabilities and
          responses of polyelectrolytes and their complexes.
  <br><br>
  A topic of particular interest is the use of oligomers and polymers
  within charge-sensitive separation membranes. Our work has
  demonstrated through a minimal thermodynamic model that a host of
  effects, including molecular size, pH responsiveness, and competetive
  ion rejection may be engineered into these materials through
  predictive simulations.
  <br><br>
  Additionally, our group is interested in the fascinating interplay
  of charge, topology, and adhesive interactions which arise in
  complex coacervate materials. These materials occur in systems of
  oppositely charged macromolecules, and are intimately related to the
  phenomenon of layer-by-layer deposition. We are currently developing
  minimal models to test the limits of available theories of
  polyelectrolyte, and to understand the microstructure, including
  salt and small-molecule partitioning effects, within these phases.

  <br><br>
        </p>

        <h2> Related Publications: </h2>

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          <div class="row"> [1] Jian Qin, Dimitrios Priftis, Robert Farina, Sarah L. Perry, Lorraine Leon, Jonathan Whitmer, Kyle Hoffmann,
            Matthew Tirrell, and Juan J. de Pablo. "Interfacial tension of
            polyelectrolyte complex coacervate phases." ACS Macro Letters
            <b>3</b>, 6 (2014):
            565-568. <a href="http://pubs.acs.org/doi/abs/10.1021/mz500190w">Link</a></div>

          <div class="row"> [2] Sarah L. Perry, Lorraine Leon, Kyle Q. Hoffmann, Matthew J. Kade, Dimitrios Priftis, Katie A. Black, Derek Wong, Ryan
	        A. Klein, Charles F. Pierce III, Khatcher O. Margossian, Jonathan K.
          Whitmer, Jian Qin, Juan J. de Pablo and Matthew Tirrell.  "Chirality-selected phase behaviour in ionic polypeptide complexes." Nature Communications 6 (2015): 6052. <a href="http://www.nature.com/articles/ncomms7052">Link</a></div>


          <div class="row"> [3] Vikramjit Singh Rathee, Siyi Qu, William A. Phillip, and
            Jonathan K. Whitmer. "A coarse-grained thermodynamic model for
            the predictive engineering of valence-selective membranes."
            Molecular Systems Design & Engineering <b>1</b>, 3 (2016):
            301-312. <a href="http://pubs.rsc.org/en/Content/ArticleLanding/2016/ME/C6ME00045B">Link</a> </div>

          <div class="row"> [4] Vikramjit Singh Rathee, Aristotle J. Zervoudakis, Hythem Sidky, Benjamin J. Sikora and Jonathan K. Whitmer. "Weak Polyelectrolyte Complexation Driven by Associative Charging." <em>Submitted</em>, (2017). </div>

            <div class="row"> [5] Vikramjit Singh Rathee, Benjamin J. Sikora, Hythem Sidky and Jonathan K. Whitmer. "Simulating the Thermodynamics of Charging in Weak Polyelectrolytes. The Debye-H&uuml;ckel limit." <em>In Preparation</em>, (2017)</div>


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